BDBM50332833 (8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one::CHEMBL1630911

SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34CO)[C@@H]1CCC2=O

InChI Key: InChIKey=VHEGBHRCHSDJHJ-BGJMDTOESA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50332833   

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))	BDBM50332833 ((8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-3...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:7| Show InChI InChI=1S/C19H28O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h5,14-16,20H,2-4,6-12H2,1H3/t14-,15-,16-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	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 The binding affinity was determined on Cytochrome P450 19A1 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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50332833 ((8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-3...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:7| Show InChI InChI=1S/C19H28O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h5,14-16,20H,2-4,6-12H2,1H3/t14-,15-,16-,18-,19+/m0/s1	PDB MMDB 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	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human placental aromatase				Eur J Med Chem 45: 5612-20 (2010) Checked by Author Article DOI: 10.1016/j.ejmech.2010.09.011 BindingDB Entry DOI: 10.7270/Q2G44QH8
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50332833 ((8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-3...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:7| Show InChI InChI=1S/C19H28O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h5,14-16,20H,2-4,6-12H2,1H3/t14-,15-,16-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90E+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