怎么在chEMBL上下载sdf文件怎么打开?

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Scientific Literature10168915913066
(40.29%)Open TG-GATEs158199158199
(1.08%)DrugMatrix113678350929
(2.39%)TP-search Transporter Database35926765
(0.05%)PubChem BioAssays29377559601
(51.51%)BindingDB Database186899039
(0.67%)FDA Approval Packages13861387
(0.01%)Patent Bioactivity Data113420941
(0.14%)Sanger Institute Genomics of Drug Sensitivity in Cancer71473169
(0.5%)Curated Drug Pharmacokinetic Data5191163
(0.01%)GSK Published Kinase Inhibitor Set456169451
(1.15%)Drugs for Neglected Diseases Initiative (DNDi)23314452
(0.1%)MMV Malaria Box13845158
(0.31%)MMV Pathogen Box823857
(0.03%)Open Source Malaria Screening22344
(0%)St Jude Malaria Screening165456
(0.04%)WHO-TDR Malaria Screening165853
(0.04%)GSK Tuberculosis Screening151814
(0.01%)CO-ADD antimicrobial screening data15180
(0%)AstraZeneca Deposited Data1511687
(0.08%)GSK Kinetoplastid Screening137235
(0.05%)Deposited Supplementary Bioactivity Data134817
(0.03%)Curated Drug Metabolism Pathways1111
(0%)Novartis Malaria Screening627888
(0.19%)GSK Malaria Screening681198
(0.55%)St Jude Leishmania Screening642105
(0.29%)Harvard Malaria Screening4111
(0%)Gates Library compound collection269444
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ChEMBL FAQ
ChEMBL Interface QuestionsChEMBL Data QuestionsChEMBL Download QuestionsGeneral QuestionsSchema Questions and SQL Examples
ChEMBL Interface QuestionsGeneralTo run a compound (ligand) search, you can use the drawing window, found at
and draw in the exact structure or substructure of the compound you want to search on (1). Additionally, you can use the 'Search ChEMBLdb....' field to search for compound names (2).
To run a BLAST search you can go to
and paste in a FASTA file of your target of interest.
Alternatively, you can paste ChEMBLIDs of your targets into this box and run a search.
Once you have run your search, whether it be a target or ligand search, you can go to the top right hand section of the results page and use the drop down box to choose the option to 'Filter Bioactivities'.
Once this option has been chosen, you will be taken to the next page where you can choose the activity endpoints to filter the data on.
At the moment, you are unable to search on the interface using molecular formula.
Yes, you can choose the Keywords field for a single search term, which can be found at the top of all of the ChEMBLdb pages or, for multiple compound name searched, you can use the field on the Search Compounds page. Both will search across any of the data fields that may contain names of compounds, including Synonyms and Compound Name.
Yes you can do this. Once you have run your search, click on the structure itself. This will open up the drawing pop-up window which has a 'Use As Query' button. Once selected this will put this structure under the Compound Search tab automatically.
Yes, you can now use a SMILES string to run a compound search in ChEMBLdb. This feature can be found under the Ligand Search tab on the home page. You can also use multiple SMILES strings at once, as long as each string is on a new line.
To run an exact match, choose the Ligand Search tab, found on the main home page. Use the embedded drawing window to input your structure of interest. You can then choose 'Similarity' from the search options dropdown box and '100%' from the 'Similarity Cut-off'. This will allow you to search for that compound specifically.
We don't have a specific size restriction, but a generally rule is that anything with over 20,000 results with not be downloaded from the interface. The file is too big to be created.
We only store information for targets that we have data on - i.e. if we haven't extracted the target information from a journal, then it will not be stored in ChEMBLdb. However, it is possible to find similar targets using a Blast search and a FASTA sequence. A FASTA sequence can be copied from the Uniprot website (https://www.uniprot.org) and pasted into the protein sequence search box -
Yes you can. You can go to the 'Browse Drugs' tab on the home page and extract the bioactivity data for only the known drug. You can also search the compounds with criteria such as 'Natural Product' or using USAN names.
All downloads can be found on our FTP site:
This is not an available option at the moment. However, it has been added to the list of potential new features to be added, but there is no projected date for its completion.
If you search on the interface for a particular target and then you want to download all the biological data related to this, you can do so by doing the following:
In the Target Report Card, scroll to the Target Associated Bioactivities and click on the small grey square to the lower right of the pie chart (highlighted above). Choose 'Display All Records', which will take you to the page, which will show all the biological data relating to this target. In the top right hand corner of the page, the drop down box will allow you to choose to download all of the data as a tab-delimited or XLS file.
No, this is not possible as they are running off the same servers. It is best to run one search at a time.
Salts were removed from the compounds results set to prevent confusion and to reduce the amount of compounds brought back from a search. However, if you search on a salt form of a compound, for example, Sildenafil Citrate, you will still see its parent, i.e. Sildenafil, in the compound list. If you then choose to display all the bioactivities, you will then see the individual salts relating to the activities.
All of the columns are exported by default in the text files, but not all are shown on the interface. More columns can be added to the search results window by clicking on 'Show/hide columns', which can be located to the top right hand corner of the results list.
Type 'IRAK4' into the ChEMBL search field and click on 'Targets'. Once in the results window, go to the top right hand corner and choose 'Display Bioactivities' from the drop-down box. In the bioactivity results window, to download the data as an XLS file, go to the top right hand corner drop down box and choose 'Download All Data (XLS)'
Type 'Human immunodeficiency virus type 1 protease' into the ChEMBL search field and click on 'Targets'. Click on the hyperlink for the ChEMBL ID of the target, in this case, ChEMBL243. This will take you to the Target Report Card. Once in the Target Report Card, scroll down to 'Target Associated Compound Properties' and click 'Display All Records' from the lower left hand grey box to access all of the compounds for this target. In the compound results window, to download all of the compounds as an SDFile, go to the top right hand corner drop-down box and choose 'Download 'SDF''.
To only search using this data source, you must deselect all the other sources from the list. To do this, click on 'Activity Source Filter' and deselect all the choices other than the GSK PKIS data set from the list. Subsequent searches will then only use this single data source to bring back results.
ChEMBL Data QuestionsGeneralThe data is updated regularly, with releases approximately every 3-4 months.
We provide a list of all downgraded compounds with each release. However, it would be impossible to note all structural changes and/or changes to compound names etc. If there is something specific that you need to check, please contact us and we will be able to let you know what, if anything, has happened to that compound.
We do not store any queries that our users run. We do not analyse the nature of any queries or note structures that are processed through the website. In fact, we use https:// wherever possible to maintain the security of the searches. Additionally, the EBI has terms of use and these can be found at: . This will tell you what information is retained by the EBI, if any.
The published units are taken directly from the literature and we then attempt to standardise these to report as a standard type. This is an ongoing curation task, which was started with the most common units first.
As part of the manual curation process applied to the data we assign a confidence score to the assay-to-target relationships represented in the database. The confidence score value reflects both the type of target assigned to a particular assay and the confidence that the target assigned is the correct target for that assay. The confidence scores range from 0, for as yet uncurated data entries, to 9, where a single protein target has been assigned a high degree of confidence. Assays assigned a non-molecular target type, for example a cell-line or an organism, receive a confidence score of 1, while assays with assigned protein targets receive a confidence score of at least 4.
CONFIDENCE_SCORE DESCRIPTION
Default value - Target assignment has yet to be curated
Target assigned is non-molecular
Target assigned is molecular non-protein target
Multiple homologous protein targets may be assigned
Multiple direct protein targets may be assigned
Homologous protein complex subunits assigned
Direct protein complex subunits assigned
Homologous single protein target assigned
Direct single protein target assigned
As the data and the compounds are continually being curated, it is not possible to keep a track of these alterations or additions. However, if our users contact us personally, we are always happy to try and give them this type of information on individual data or compounds, wherever possible.
No, we do not keep a list of activity types but we are happy to create such a list as and when a user would require it. This can also be found if the ChEMBL data is downloaded from the FTP site and installed into a database.
We have coverage of over 47 journal papers in ChEMBL, most notably Journal of Medicinal Chemistry (), Bioorganic and Medicinal Chemistry Letters ( ) and Journal of Natural Products (). The ChEMBL data has been extracted from over 48,000 individual papers in total.
The canonical SMILES are calculated using Accelrys's Pipeline Pilot using an algorithm that belongs to Accelrys but it was derived from Daylight's algorithm (). The standard InChI is calculated using the command line InChI generator and was developed by the InChI Trust () and is called up via the command line.
The LogP, and other compound properties are caluculated according to the following document:
You can sign up to our ChEMBL Announce mailing list (), where you will be kept up to date with all new releases and changes to the database.
In PubChem, depositors may assign multiple result types to an assay. However, if an assay is deposited as a 'confirmatory' assay (defined as an assay where a range of SID concentrations have been tested, with a view to determining a measurement of potency), then one of the result types must be marked up as an 'Active Concentration' (AC) result type. Panel assays may contain many 'AC' result types, one per panel member. The AC result type is the calculated potency measurement from the data, and is typically an IC50, EC50, AC50, GI50 or Ki. In addition, the PubChem deposition process requires that each SID in an assay must be assigned a single 'Activity Summary', from a controlled vocabulary which includes 'inactive', 'active' and 'inconclusive'. Only assays containing 'AC' result types have been integrated into ChEMBL, and from these assays, only activity data and SIDs associated with 'AC' result types have been integrated. The 'Activity Summary' field in PubChem associated with each integrated activity is also captured and shown in the 'Activity Comment' field in ChEMBL. Panel assays are divided into separate assays in ChEMBL, one ChEMBL assay for each panel member. A number of additional assays which do not match the above criteria, have also been included in the PubChem integration. These have been chosen individually, on the basis that they have been specifically requested to be included by ChEMBL users. These are: AID1, AID3, AID5, AID7, AID9, AID11, AID13, AID15, AID17, AID19, AID21, AID23, AID25, AID27, AID29, AID31, AID33, AID35, AID37, AID39, AID41, AID43, AID45, AID47, AID49, AID51, AID53, AID55, AID57, AID59, AID61, AID63, AID65, AID67, AID69, AID71, AID73, AID75, AID77, AID79, AID81, AID83, AID85, AID87, AID89, AID91, AID93, AID95, AID97, AID99, AID101, AID103, AID105, AID107, AID109, AID111, AID113, AID115, AID117, AID119, AID121, AID123, AID125, AID127, AID129, AID131, AID133, AID135, AID137, AID139, AID141, AID143, AID145, AID1851 and AID493040. A number of assays have been excluded since they contain data already present in ChEMBL. These assays include all ChEMBL-derived assays, and AID1433 (A data set that has been manually added to ChEMBL). An automatic 'standardization' of SID structures downloaded from PubChem is carried out prior to integration (using in house protocols). Standard inchis are generated from the standardized mol files, and used to normalize with existing ChEMBL structures. SIDs matching exactly on standard inchi to existing ChEMBL structures are assigned to the existing CHEMBLID (and the mol file already associated with the existing ChEMBL structure is used to represent the searchable structure for this CHEMBLID). Where no match to a standard inchi is achieved, the incoming SID is assigned to a new CHEMBLID, and the standardized mol file for the SID is used to represent the searchable structure. A very small number of SIDs (<0.1%) with standardized mol files that fail to produce valid standard inchis, or to load into a oracle symyx cartridge without errors, are each assigned a new CHEMBLID, and associated with a 'null' structure (ie: no mol file is associated with this new CHEMBLID). Mappings to ChEMBL targets for each integrated PubChem assay has been automated for the initial load. However, manual review of these mappings by expert curators may result in ongoing changes. Users who prefer to exclude the integrated PubChem data (or any other integrated external data set) from their ChEMBL web-interface searches can do so by clicking 'Activity Source Filter' next to the main ChEMBL search bar, and deselecting the sources not required in future searches. Note, however, that these deselections persist between browser sessions. Users querying ChEMBL database dumps directly using SQL, and wishing to achieve this same filtering, should inspect the 'source' table, and the foreign keys to this table in the 'assays' and 'compound_records' tables.
is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs.
provides a service to access to hundreds of thousands of data points on malaria-related compounds, assays and targets, thus facilitating research for this neglected tropical disease. Inspired by the successful ChEMBL interface, a user may query the database using keywords, synonyms, chemical structures or protein sequences, review and filter the hits using tables or charts and then download the resulting subset.
is a repository for Open Access primary screening and medicinal chemistry data directed at neglected diseases - endemic tropical diseases of the developing regions of the Africa, Asia, and the Americas. The primary purpose of ChEMBL-NTD is to provide a freely accessible and permanent archive and distribution centre for deposited data. ChEMBL-NTD is a subset of the data in the free medicinal chemistry and drug discovery database ChEMBLdb.
is an integrated chemogenomics workbench focused on Kinases. The system incorporates and links Kinase sequence, structure, compounds and screening data. It is both biology and chemistry aware and provides a central resource for Protein Kinase knowledge.
The majority of the data is made up of the PubChem data, with the curated data from primary literature coming in second highest. As ChEMBL is part of the eTox project we also have data from TG Gates, GRAC, DrugMatrix and TP-search Transporter Database. As part of the Neglected Tropical Disease portal, we have deposited data from GSK for malaria and tuberculosis, Novartis malaria data, St Jude's Children's hospital malaria data. We also have the GSK published Kinase Inhibitor set and deposited supplementary data.
Yes, please refer to the following document: In addition to the conversion of published activity types/values/units to standard activity types/values/units, we have now added an additional field called pChEMBL to the Activities table. This value allows a number of roughly comparable measures of half-maximal response concentration/potency/affinity to be compared on a negative logarithmic scale. For example, an IC50 measurement of 1nM would have a pChEMBL value of 9. pChEMBL is defined as: -Log(molar IC50, XC50, EC50, AC50, Ki, Kd or Potency.The Data Validity column has been added to the interface and to the database (as column data_validity_comment) to flag activity values that are outside a range typical for that activity type, or even for potentially missing data. For example, an IC50 of nM would be flagged as "Outside Typical Range". The use of the flag will allow users to decide whether or not to retain those values in their results set after running a search on the interface or using the downloaded database. The flags currently in use in this field are:
Potential missing data
Potential author error
Manually validated
Potential transcription error
Outside typical range
Non standard unit for type
Author confirmed error
The molfiles and images of a proportion of metal-containing compounds we removed from the ChEMBL interface and downloads set in ChEMBL_17. This was partially due to some of these compounds having coordinated metal bonds. As InChI limitations are such that these coordinate bonds could not generate a Standard InChI, our main compound indicator of uniqueness in ChEMBL, it was decided to exclude the structures altogether. The compound image on the interface was replaced with an icon that shows it is a metal-containing compound and the molfiles were removed from the download set on the FTP site. We will retain the molecular formula in both the download files and on the ChEMBL interface, so that the elemental make up of the compound is visible. This change does not affect the storage or display of the associated bioactivity data for these compounds.In addition to the conversion of published activity types/values/units to standard activity types/values/units, described in previous releases, a number of further enhancements have been made to the data in the activities table:
Conversion of log/-log values to nM concentrations. For example pIC50 and log Ki have been converted to IC50 and Ki values.
Rounding of standard values to three significant figures (or 2 decimal places for values > 10)
Flagging of data with possible errors (using the data_validity_comment field), such as unusual units for the activity type, or very large/small numbers.
Identification of potential duplicate values - where an activity measurement is likely to be a repeat citation of an earlier measurement, rather than an independent measurement (flagged using the potential_duplicate column).
An additional table (ACTIVITY_STDS_LOOKUP) has been included in this release, which contains details of the standard_types that have been standardised, their permitted standard_units, and acceptable value ranges.
We detected and flagged duplicated activity entries and potential transcription errors in activity records that come from publications. The former are records with identical compound, target, activity, type and unit values that were most likely reported as citations of measurements from previous papers, even when these measurements were subsequently rounded. The latter cases consist of otherwise identical entries whose activity values differ by exactly 3 or 6 orders of magnitude indicating a likely error in the units (e.g. uM instead of nM).ChEMBL Download QuestionsGeneralNo, unfortunately, as there is so much data in ChEMBL, it is not possible to store this on the FTP site as a download. It would be too big to be downloaded to users' computers. If users would like to obtain all of the bioactivity data, we urge them to install a database instance for ChEMBL using Oracle or MySQL.
You cannot download a single SDFile of the compound information including the structure, alongside the bioactivity data.
However, you can download these separately and use a program such as Pipeline Pilot or Knime to join the files together.
No there is no password set for this, so if you are asked for a password it is likely to be a local MS SQL issue and you will need to contact your database administrators to gain access.
You will need to use a tablespace with about 12GB of free space available to import the ChEMBL oracle dump file.
The SDfile contains the structures and the IDs of all the compounds currently found in the database. The MySQL/Oracle downloads contain all the compounds and associated bioactivities, but needs to be uploaded into a database to be viewed properly.
One of the main most likely reasons for this blank file is that the amount of data that you are trying to download from the interface is too big for the server to handle.
We would suggest either refining your search further to reduce the results or, if this is a frequent search size, creating your own database in Oracle or MySQL of the ChEMBL data. Having your own database instance will allow large searches to be carried out.
General QuestionsGeneralThe ChEMBLID is a unique ID that has been assigned to compounds, targets and assays.
Binding (B) - Data measuring binding of compound to a molecular target, e.g. Ki, IC50, Kd.
Functional (F) - Data measuring the biological effect of a compound, e.g. %cell death in a cell line, rat weight.
ADMET (A) - ADME and Tox data e.g. t1/2, oral bioavailability, LD50.
No, we do not store these compounds. Everything that we have is in electronic form.
The publications used to cite ChEMBL are:
ChEMBL Database
A.P. Bento, A. Gaulton, A. Hersey, L.J. Bellis, J. Chambers, M. Davies, F.A. Krüger, Y. Light, L.
Mak, S. McGlinchey, M. Nowotka, G. Papadatos, R. Santos and J.P. Overington (2014) 'The ChEMBL
bioactivity database: an update.' Nucleic Acids Res., 42 . DOI:
M. Davies, M. Nowotka, G. Papadatos, F. Atkinson, G.J.P. van Westen, N Dedman, R. Ochoa and J.P. Overington
'myChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data' Challenges 5 (334-337)DOI:
ChEMBL RDF
S. Jupp, J. Malone, J. Bolleman, M. Brandizi, M. Davies, L. Garcia, A. Gaulton, S. Gehant, C. Laibe,
N. Redaschi, S.M Wimalaratne, M. Martin, N. Le Novère, H. Parkinson, E. Birney and A.M Jenkinson
(2014) The EBI RDF Platform: Linked Open Data for the Life Sciences Bioinformatics 30
We have designated emails for data queries and error reporting or help requests. These are:
- for data queries
- for error reporting or help requests
This is a structure-based druggablity search engine. Users can survey different types of druggability scores of a given protein structure. It can be accessed here:
Molregno is our ChEMBL internal identification given to each compound. The ChEMBLID is the externally viewed identification for each compound.
The best way to access large amounts of data is to install a database instance on your own computer using Oracle or MySQL.
Yes, there is a ChEMBL RDF. It is stored on the FTP site.
ChEMBLIDs are assigned to assays, documents and compounds in ChEMBL and they are used as the unique identifiers for each.
ChEMBL_14 is an earlier release of the data, with ChEMBL_15 being an updated version. Subsequent updates will have consecutive numbers, so the one with the highest number will be the most recent full version of the data.
Web Service hints and tips can be found at:
Details of how to access the RESTful Web Services via Pipeline Pilot can be accessed here:
Links to webinar slides and PDFs:
Schema Questions and SQL ExamplesGeneralA PNG of the schema relationships can be found in each release, the most recent being:
This can be found in the following slides (Current for ChEMBL_15):
SELECT md.chembl_id AS compound_chembl_id,
cs.canonical_smiles,
act.standard_type,
act.standard_value,
act.standard_units,
td.chembl_id AS target_chembl_id,
td.organism,
td.pref_name
FROM target_dictionary td,
activities act,
molecule_dictionary md,
organism_class oc,
compound_structures cs
WHERE td.tid
AND a.assay_id
= act.assay_id
AND act.molregno
= md.molregno
AND md.molregno
= cs.molregno
AND td.tax_id
= oc.tax_id
= 'Bacteria';
SELECT DISTINCT md.molregno,
md.chembl_id,
act.standard_type,
act.standard_value,
act.standard_units
FROM activities act,
molecule_dictionary md
WHERE act.molregno
= MD.molregno
AND act.standard_type
AND act.standard_units = 'nM';
-- Compounds which are selective for Human CDK2 (CHEMBL301) over Human CDK5 (CHEMBL4036)
-- Selectivity is based on comparing binding affinities using IC50 values.
SELECT md.chembl_id FROM target_dictionary td,
activities act,
molecule_dictionary md
WHERE td.tid
AND a.assay_id
=act.assay_id
AND md.molregno
=act.molregno
AND act.standard_relation='='
AND act.standard_type
IN ('IC50')
AND act.standard_units
AND act.standard_value
AND td.chembl_id
= 'CHEMBL4036';
SELECT t.chembl_id AS target_chembl_id,
t.pref_name
AS target_name,
t.target_type,
c.accession
AS protein_accession,
c.sequence
AS protein_sequence
FROM target_dictionary t,
target_type tt,
target_components tc,
component_sequences c
WHERE t.target_type = tt.target_type
AND tc.component_id = c.component_id
AND tt.parent_type
= 'PROTEIN';
-- The compound is Atorvastatin (CHEMBL1487)
SELECT DISTINCT m1.chembl_id AS parent_chembl_id,
m2.chembl_id
AS salt_chembl_id,
r.compound_key,
NVL(TO_CHAR(d.pubmed_id),d.doi) AS pubmed_id_or_doi,
a.description
AS assay_description,
act.standard_type,
act.standard_relation,
act.standard_value,
act.standard_units,
act.activity_comment,
t.chembl_id AS target_chembl_id,
t.pref_name AS target_name,
t.target_type FROM molecule_hierarchy h,
molecule_dictionary m1,
molecule_dictionary m2,
compound_records r,
activities act,
target_dictionary t
WHERE m1.molregno = h.parent_molregno
AND h.molregno
= m2.molregno
AND m2.molregno
= r.molregno
AND r.record_id
= act.record_id
AND r.doc_id
= d.doc_id
AND act.assay_id
= a.assay_id
AND m1.chembl_id
= 'CHEMBL1487';
-- Protein of interest is human M2 muscarinic receptor (P08172)
SELECT DISTINCT m.chembl_id AS compound_chembl_id,
s.canonical_smiles,
r.compound_key,
NVL(TO_CHAR(d.pubmed_id),d.doi) AS pubmed_id_or_doi,
a.description
AS assay_description,
act.standard_type,
act.standard_relation,
act.standard_value,
act.standard_units,
act.activity_comment,
t.chembl_id AS target_chembl_id,
t.pref_name AS target_name,
t.target_type FROM compound_structures s,
molecule_dictionary m,
compound_records r,
activities act,
target_dictionary t,
target_components tc,
component_sequences cs
WHERE s.molregno (+) = m.molregno
AND m.molregno
= r.molregno
AND r.record_id
= act.record_id
AND r.doc_id
= d.doc_id
AND act.assay_id
= a.assay_id
AND tc.component_id
= cs.component_id
AND cs.accession
= 'P08172';
-- Target is Human PDE5 (CHEMBL1827)
SELECT m.chembl_id AS compound_chembl_id,
s.canonical_smiles,
r.compound_key,
NVL(TO_CHAR(d.pubmed_id),d.doi) AS pubmed_id_or_doi,
a.description
AS assay_description,
act.standard_type,
act.standard_relation,
act.standard_value,
act.standard_units,
act.activity_comment
FROM compound_structures s,
molecule_dictionary m,
compound_records r,
activities act,
target_dictionary t
WHERE s.molregno (+) = m.molregno
AND m.molregno
= r.molregno
AND r.record_id
= act.record_id
AND r.doc_id
= d.doc_id
AND act.assay_id
= a.assay_id
AND t.chembl_id
= 'CHEMBL1827';
-- The source id for PubChem data is found in the SOURCE table and is ‘7’.
-- Please note that this will bring back over 4,000,000 data points
SELECT DISTINCT md.molregno,
md.chembl_id,
act.standard_type,
act.standard_value,
act.standard_units
FROM activities act,
molecule_dictionary md,
compound_records cr,
source src
WHERE act.molregno
= MD.molregno
AND cr.molregno = act.molregno
AND src.src_id = cr.src_id
AND src.src_id = ‘7’;

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