BDBM50039160 13-Methyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione::CHEMBL309113
SMILES: CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
InChI Key: InChIKey=JRIZOGLBRPZBLQ-UHFFFAOYSA-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 19A1 (Homo sapiens (Human)) | BDBM50039160 (13-Methyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku College of Pharmacy Curated by ChEMBL | Assay Description Binding affinity for aromatase cytochrome P45019A1 by analysis of Dixon plot | J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM50039160 (13-Methyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku College of Pharmacy Curated by ChEMBL | Assay Description In vitro competetitive inhibitory activity was measured on Cytochrome P450 19A1 of human placental microsomes | J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |