 | ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug inducing properties. It is maintained by the European Bioinformatics... 9 KB (853 words) - 10:20, 18 August 2023 |
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 (502 words) - 22:49, 17 January 2024 |
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 |
International Chemical Identifier (redirect from InChI) been adopted by many larger and smaller databases, including ChemSpider, ChEMBL, Golm Metabolome Database, OpenPHACTS, and PubChem. However, the adoption... 24 KB (2,513 words) - 14:37, 24 December 2023 |
 | DrugBank DB09153 ChemSpider 5044 UNII 451W47IQ8X KEGG C13563 ChEBI CHEBI:26710 ChEMBL ChEMBL1200574 Chemical and physical data Formula ClNa Molar mass... 27 KB (2,768 words) - 17:25, 7 April 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 (298 words) - 21:33, 4 February 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 (506 words) - 18:54, 22 September 2023 |
 | 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... 18 KB (1,452 words) - 14:07, 17 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 |
Comparative Toxicogenomics Database - run by North Carolina State University ChEMBL - run by European Bioinformatics Institute ChemSpider - run by UK's Royal... 11 KB (960 words) - 16:18, 24 August 2023 |
 | model (JSmol) Interactive image Beilstein Reference 1744750 ChEBI CHEBI:31725 Y ChEMBL ChEMBL42013 Y ChemSpider 29016 Y ECHA InfoCard 100.004.240 EC Number... 8 KB (583 words) - 18:45, 13 February 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 (1,514 words) - 17:57, 28 March 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... 6 KB (467 words) - 15:47, 6 April 2024 |
 | DrugBank DB16098 ChemSpider 59718640 UNII 7CRV8RR151 KEGG D11313 ChEBI CHEBI:196955 ChEMBL ChEMBL3991065 Chemical and physical data Formula C29H23F6N5O3 Molar... 12 KB (720 words) - 18:22, 19 April 2024 |
 | 28892 DrugBank DB13731 Y ChemSpider 26873 Y UNII M75MZG2236 KEGG D07594 Y ChEMBL ChEMBL1332546 CompTox Dashboard (EPA) DTXSID7048403 ECHA InfoCard 100.038... 4 KB (230 words) - 10:15, 23 July 2023 |
 | image ChEMBL ChEMBL1201147 N ChemSpider 21165 Y ECHA InfoCard 100.025.683 PubChem CID 22571 UNII 5A68WGF6WM Y CompTox Dashboard (EPA) DTXSID9025299 InChI... 7 KB (584 words) - 19:52, 17 February 2024 |
 | DrugBank DB15171 ChemSpider 76714503 UNII OYN3CCI6QE KEGG D11360 ChEBI CHEBI:194186 ChEMBL ChEMBL4297839 Chemical and physical data Formula C225H348N48O68... 42 KB (3,387 words) - 04:55, 20 April 2024 |
 | Identifiers CAS Number 521-31-3 Y 3D model (JSmol) Interactive image ChEMBL ChEMBL442329 Y ChemSpider 10192 Y ECHA InfoCard 100.007.556 EC Number 208-309-4... 16 KB (1,543 words) - 18:34, 24 March 2024 |
 | (DL) Y 3D model (JSmol) Interactive image Interactive image ChEBI CHEBI:16163 Y ChEMBL ChEMBL396416 Y ChemSpider 168055 Y DrugBank DB04339 Y ECHA InfoCard... 4 KB (272 words) - 04:11, 1 January 2024 |
 | Identifiers CAS Number 7681-57-4 Y 3D model (JSmol) Interactive image ChEBI CHEBI:114786 N ChEMBL ChEMBL2016976 N ECHA InfoCard 100.028.794 EC Number 231-673-0 E... 13 KB (1,143 words) - 13:02, 30 March 2024 |
small molecules from the chemical and biological literature, hosted by NCBI ChEMBL, a database of information about medicinal chemistry and biological activities... 2 KB (168 words) - 01:12, 23 July 2022 |
 | the CH 2OH substituent in the same ring (C6 of the first glucose). If the glycosidic bond to the anomeric carbon (C1) were in the same plane as the CH 2OH... 10 KB (843 words) - 15:26, 17 June 2023 |
 | DB06736 Y ChemSpider 64809 Y UNII RPK779R03H KEGG D01545 Y ChEBI CHEBI:31159 N ChEMBL ChEMBL93645 Y CompTox Dashboard (EPA) DTXSID7045522 ECHA InfoCard... 7 KB (445 words) - 15:09, 7 November 2023 |
 | PubChem CID 2132 ChemSpider 10276826 Y UNII 200168S0CL KEGG D07442 Y ChEMBL ChEMBL153479 Y CompTox Dashboard (EPA) DTXSID8022583 ECHA InfoCard 100.038... 13 KB (1,288 words) - 02:28, 16 April 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 (896 words) - 05:27, 28 February 2024 |
 | DB01416 N ChemSpider 4891496 Y UNII 7R4F94TVGY KEGG D07650 Y ChEBI CHEBI:3504 N ChEMBL ChEMBL1672 Y CompTox Dashboard (EPA) DTXSID6022765 ECHA InfoCard... 6 KB (399 words) - 06:20, 13 September 2023 |
 | DB01294 Y ChemSpider 17215772 Y UNII 62TEY51RR1 KEGG D00728 N ChEBI CHEBI:261649 Y ChEMBL ChEMBL1120 Y CompTox Dashboard (EPA) DTXSID6024622 ECHA InfoCard... 17 KB (1,581 words) - 07:48, 19 April 2024 |
 | Benzimidazole is a base: C6H4N(NH)CH + H+ → [C6H4(NH)2CH]+ It can also be deprotonated with stronger bases: C6H4N(NH)CH + LiH → Li [C6H4N2CH] + H2 The imine... 8 KB (594 words) - 21:07, 29 December 2023 |
 | DB00584 Y ChemSpider 4534998 Y UNII 69PN84IO1A KEGG D07892 Y ChEBI CHEBI:4784 Y ChEMBL ChEMBL578 Y CompTox Dashboard (EPA) DTXSID5022982 ECHA InfoCard... 19 KB (1,686 words) - 16:49, 7 February 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 (3,297 words) - 14:17, 11 April 2024 |