BDBM50009430 16-Bromo-10,13-dimethyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one::CHEMBL83422

SMILES: CC12CCC3C(CCC4=CCCCC34C)C1C[C@@H](Br)C2=O

InChI Key: InChIKey=GSOJBPSBUAABDR-GFJUSKSSSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50009430   

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))	BDBM50009430 (16-Bromo-10,13-dimethyl-1,2,3,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1C[C@@H](Br)C2=O |t:8| Show InChI InChI=1S/C19H27BrO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h5,13-16H,3-4,6-11H2,1-2H3/t13?,14?,15?,16-,18?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	228	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 human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50009430 (16-Bromo-10,13-dimethyl-1,2,3,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1C[C@@H](Br)C2=O |t:8| Show InChI InChI=1S/C19H27BrO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h5,13-16H,3-4,6-11H2,1-2H3/t13?,14?,15?,16-,18?,19?/m1/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	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair