-
ChEMBL or
ChEMBLdb is a
manually curated chemical database of
bioactive molecules with drug
inducing properties. It is
maintained by the
European Bioinformatics...
- It is
related in
scope other databases such as
ChEMBL, ChemSpider, DrugBank,
MetaboLights and PubChem.
ChEBI data is
available through a
public web application...
- PMID 18600572.
Analoging in
ChEMBL,
DrugBank and the
Connectivity Map – a free web-service for
finding structural analogs in
ChEMBL, DrugBank, and the Connectivity...
- been
adopted by many
larger and
smaller databases,
including ChemSpider,
ChEMBL, Golm
Metabolome Database, OpenPHACTS, and PubChem. However, the adoption...
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DrugBank DB09153
ChemSpider 5044 UNII 451W47IQ8X KEGG C13563
ChEBI CHEBI:26710
ChEMBL ChEMBL1200574
Chemical and
physical data
Formula ClNa
Molar m****...
-
DrugBank DB09019 N
ChemSpider 2348 Y UNII Q1J152VB1P KEGG D07542 Y
ChEBI CHEBI:77032 N
ChEMBL ChEMBL253376 Y
CompTox Dashboard (EPA) DTXSID6022686 ECHA InfoCard...
- D03284
ChEMBL ChEMBL3989426
Chemical and
physical data 3D
model (JSmol)
Interactive image SMILES [O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Zn+2] In
ChI In
ChI=1S/2Fe...
- 5989-27-5 (R) Y 5989-54-8 (S) Y 3D
model (JSmol)
Interactive image ChEBI CHEBI:15384 Y
ChEMBL ChEMBL449062 (R) Y
ChemSpider 20939 (R/S) Y 388386 (S) Y 389747...
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PubChem CID 3334
ChemSpider 3217 Y UNII 621BVT9M36 KEGG D04140 Y
ChEBI CHEBI:77092 N
ChEMBL ChEMBL37161 Y
CompTox Dashboard (EPA) DTXSID0040672 ECHA InfoCard...
-
Comparative Toxicogenomics Database - run by
North Carolina State University ChEMBL - run by
European Bioinformatics Institute ChemSpider - run by UK's Royal...
