ChEMBL's coverage of available bioactivity data has grown to become "the most comprehensive ever seen in a public database.". In October 2010 ChEMBL version...
9 KB (853 words) - 10:20, 18 August 2023
It is related in scope other databases such as ChEMBL, ChemSpider, DrugBank, MetaboLights and PubChem. ChEBI data is available through a public web application...
4 KB (337 words) - 23:01, 9 November 2021
PMID 18600572. Analoging in ChEMBL, DrugBank and the Connectivity Map – a free web-service for finding structural analogs in ChEMBL, DrugBank, and the Connectivity...
5 KB (482 words) - 05:54, 9 June 2024
DrugBank DB00678 Y ChemSpider 3824 Y UNII JMS50MPO89 KEGG D08146 Y ChEBI CHEBI:6541 Y ChEMBL ChEMBL191 Y CompTox Dashboard (EPA) DTXSID7023227 ECHA InfoCard...
41 KB (3,269 words) - 22:06, 30 August 2024
International Chemical Identifier (redirect from InChI)
been adopted by many larger and smaller databases, including ChemSpider, ChEMBL, Golm Metabolome Database, and PubChem. However, the adoption is not straightforward...
24 KB (2,538 words) - 15:42, 30 October 2024
Comparative Toxicogenomics Database - run by North Carolina State University ChEMBL - run by European Bioinformatics Institute ChemSpider - run by UK's Royal...
11 KB (958 words) - 18:07, 29 April 2024
DrugBank DB15171 ChemSpider 76714503 UNII OYN3CCI6QE KEGG D11360 ChEBI CHEBI:194186 ChEMBL ChEMBL4297839 Chemical and physical data Formula C225H348N48O68...
44 KB (3,499 words) - 19:23, 17 November 2024
were assigned with a Chemical Abstracts Service (CAS) Registry Number. ChEMBL Database version 33 record biological activities for 2,431,025 distinct...
8 KB (962 words) - 11:07, 16 October 2024
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] InChI InChI=1S/2Fe...
8 KB (509 words) - 14:51, 12 July 2024
synthesis, where formaldehyde and acetylene are the reactants: 2 CH2O + HC≡CH → HOCH2CCCH2OH Several patented production methods use copper bismuth catalysts...
5 KB (325 words) - 21:35, 21 April 2024
displaying wikidata descriptions as a fallback ChEBI – Chemical database and ontology of molecular entities ChEMBL – Chemical database of bioactive molecules...
27 KB (2,773 words) - 16:33, 26 October 2024
DrugBank DB09040 ChemSpider 428538 UNII J82SB7FXWB KEGG D10021 ChEBI CHEBI:82718 ChEMBL ChEMBL2103877 CompTox Dashboard (EPA) DTXSID40167787 ECHA InfoCard...
10 KB (715 words) - 01:12, 2 September 2024
components. Wikidata has the property: DSSTox substance ID (P3117) (see uses) ChEMBL PubChem Chemical database Environmental science Environmental informatics...
10 KB (991 words) - 16:57, 14 April 2024
Identifiers CAS Number 141-01-5 Y 3D model (JSmol) Interactive image ChEMBL ChEMBL1200640 N ChemSpider 10607713 Y ECHA InfoCard 100.004.953 PubChem CID...
3 KB (183 words) - 16:29, 3 April 2024
PubChem CID 3334 ChemSpider 3217 Y UNII 621BVT9M36 KEGG D04140 Y ChEBI CHEBI:77092 N ChEMBL ChEMBL37161 Y CompTox Dashboard (EPA) DTXSID0040672 ECHA InfoCard...
9 KB (673 words) - 18:57, 5 November 2024
model (JSmol) Interactive image Beilstein Reference 120895 ChEBI CHEBI:43572 Y ChEMBL ChEMBL287556 Y ChemSpider 3708 Y DrugBank DB01759 Y ECHA InfoCard...
8 KB (624 words) - 03:53, 22 October 2024
DB00535 Y ChemSpider 5291705 Y UNII CI0FAO63WC KEGG D00917 Y ChEBI CHEBI:3485 Y ChEMBL ChEMBL927 Y CompTox Dashboard (EPA) DTXSID8046084 ECHA InfoCard...
11 KB (882 words) - 04:39, 27 October 2024
5181-82-8 3D model (JSmol) (racemic): Interactive image ChEBI (racemic): CHEBI:166544 ChEMBL (racemic): ChEMBL1314174 ChemSpider (racemic): 5687 Y ECHA InfoCard...
18 KB (1,596 words) - 23:01, 3 October 2024
fumarate: 4QW3X4AMLB KEGG D11784 as fumarate: D10466 ChEBI CHEBI:136048 ChEMBL ChEMBL2079130 as fumarate: ChEMBL2064032 PDB ligand HKT (PDBe, RCSB PDB) CompTox...
11 KB (600 words) - 05:33, 26 October 2024
DrugBank DB00561 Y ChemSpider 3044 Y UNII 94F3830Q73 KEGG D07873 Y ChEBI CHEBI:681848 Y ChEMBL ChEMBL1754 Y CompTox Dashboard (EPA) DTXSID2022963 ECHA InfoCard...
5 KB (330 words) - 12:42, 14 September 2024
Limonene (category Articles without InChI source)
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...
19 KB (1,519 words) - 22:09, 16 November 2024
Retrieved 19 July 2022. Lübbert M, Kyereme J, Schöbel N, Beltrán L, Wetzel CH, Hatt H (October 21, 2013). "Transient receptor potential channels encode...
38 KB (3,969 words) - 18:58, 5 November 2024
2391 DrugBank DB09020 N ChemSpider 2299 Y UNII 10X0709Y6I KEGG D00245 Y ChEMBL ChEMBL942 Y CompTox Dashboard (EPA) DTXSID1022681 ECHA InfoCard 100.009.132...
8 KB (671 words) - 22:25, 15 August 2024
DrugBank DB09019 N ChemSpider 2348 Y UNII Q1J152VB1P KEGG D07542 Y ChEBI CHEBI:77032 N ChEMBL ChEMBL253376 Y CompTox Dashboard (EPA) DTXSID6022686 ECHA InfoCard...
4 KB (300 words) - 13:59, 26 August 2024
PMC 5605397. PMID 28479502. Chang JC, Chen YJ, Chen IC, Lin WS, Chen YM, Lin CH (December 2021). "Perinatal Outcomes After Statin Exposure During Pregnancy"...
100 KB (9,454 words) - 15:22, 12 November 2024
DB00410 Y ChemSpider 393914 Y UNII D0GX863OA5 KEGG D01076 Y ChEBI CHEBI:7025 N ChEMBL ChEMBL719 Y CompTox Dashboard (EPA) DTXSID0046438 ECHA InfoCard...
30 KB (2,609 words) - 04:22, 27 October 2024
sources, lack of standards and information overload. NIST PubChem DrugBank ChEBI ChEMBL Software for molecular modeling Van Noorden, R. (2012). "Chemistry's...
13 KB (1,196 words) - 16:05, 10 October 2024
Identifiers CAS Number 590-55-6 Y 3D model (JSmol) Interactive image ChEBI CHEBI:17672 N ChEMBL ChEMBL369105 N ChemSpider 272 N ECHA InfoCard 100.230.975 KEGG...
4 KB (355 words) - 14:47, 5 January 2024
DrugBank DB00341 Y ChemSpider 2577 Y UNII YO7261ME24 KEGG D07662 Y ChEBI CHEBI:3561 Y ChEMBL ChEMBL1000 Y CompTox Dashboard (EPA) DTXSID4022787 ECHA InfoCard...
36 KB (3,347 words) - 11:03, 24 September 2024
a food preservative. It has the chemical formula CH3(CH)4CO2H and the structure H3C−CH=CH−CH=CH−C(=O)OH. It is a colourless solid that is slightly soluble...
8 KB (753 words) - 01:35, 25 December 2023