Statements (99)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:database
|
| gptkbp:abbreviation |
gptkb:Chemical_Database_of_Bioactive_Molecules_with_Drug-Like_Properties
|
| gptkbp:focus |
drug discovery
bioactive molecules |
| gptkbp:hasVersion |
gptkb:ChEMBL_31
gptkb:ChEMBL_32 gptkb:ChEMBL_33 |
| https://www.w3.org/2000/01/rdf-schema#label |
ChEMBL
|
| gptkbp:license |
gptkb:Creative_Commons_Attribution-ShareAlike_3.0_Unported_License
|
| gptkbp:maintainedBy |
gptkb:European_Bioinformatics_Institute
|
| gptkbp:provides |
gptkb:organization
gptkb:pharmacy gptkb:Lipinski's_rule_of_five absorption patents metabolism pharmacokinetics pharmacodynamics Ki excretion chemical structures cell-based assays targets off-target effects selectivity clinical trial data efficacy drug interactions carcinogenicity side effects half-life SMILES reproductive toxicity approved drugs literature references acute toxicity therapeutic indications compounds ADMET properties CYP450 interactions EC50 IC50 InChIKeys Kd P-glycoprotein interactions assays binding assays bioactivities bioactivity measurements blood-brain barrier penetration chronic toxicity clearance clinical candidates drug-likeness enzyme induction enzyme inhibition experimental compounds functional assays hydrogen bond acceptors hydrogen bond donors logP mechanism of action molecular properties molecular weight mutagenicity plasma protein binding potency protein targets rotatable bonds structure-activity relationships target organisms topological polar surface area toxicity data volume of distribution |
| gptkbp:publishedIn |
https://doi.org/10.1093/nar/gkad807
https://doi.org/10.1093/nar/gkp965 https://doi.org/10.1093/nar/gkr777 https://doi.org/10.1093/nar/gkt1031 https://doi.org/10.1093/nar/gkw1074 https://doi.org/10.1093/nar/gky1075 |
| gptkbp:recognizedBy |
ChEMBL ID
|
| gptkbp:relatedTo |
gptkb:UniProt
gptkb:PubChem gptkb:DrugBank gptkb:BindingDB |
| gptkbp:releaseDate |
2009
|
| gptkbp:supportsFormat |
gptkb:REST_API
gptkb:mobile_application SQL flat files |
| gptkbp:updated |
regularly
|
| gptkbp:usedFor |
bioinformatics
cheminformatics drug discovery research |
| gptkbp:website |
https://www.ebi.ac.uk/chembl/
|
| gptkbp:bfsParent |
gptkb:CHEMBL1201471
gptkb:European_Bioinformatics_Institute_(EMBL-EBI) gptkb:EMBL-EBI |
| gptkbp:bfsLayer |
5
|