BDBM50063476 (3S,10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-1-yl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol::CHEMBL78108
SMILES: C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1ccnn1
InChI Key: InChIKey=OKJRJJXKSVCWCZ-KJBVPOJVSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM50063476![]() ((3S,10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Binding affinity for Cytochrome P450 17A1 (17-alpha-hydroxypregnenolone Km=560 nM) | J Med Chem 41: 902-12 (1998) Article DOI: 10.1021/jm970568r BindingDB Entry DOI: 10.7270/Q2GH9H2N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Rattus norvegicus (Rat)) | BDBM50063476![]() ((3S,10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-1-yl...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of rat Cytochrome P450 17A1 | J Med Chem 41: 902-12 (1998) Article DOI: 10.1021/jm970568r BindingDB Entry DOI: 10.7270/Q2GH9H2N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM50063476![]() ((3S,10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Accelrys Curated by ChEMBL | Assay Description In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escheric... | J Med Chem 46: 2345-51 (2003) Article DOI: 10.1021/jm020576u BindingDB Entry DOI: 10.7270/Q2WD41B7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM50063476![]() ((3S,10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of human testicular microsomal Cytochrome P450 17A1 | J Med Chem 41: 902-12 (1998) Article DOI: 10.1021/jm970568r BindingDB Entry DOI: 10.7270/Q2GH9H2N | |||||||||||
More data for this Ligand-Target Pair |