BDBM50061153 (R)-10,13-Dimethyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione::CHEMBL113121

SMILES: CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O

InChI Key: InChIKey=GFGIGWKDEBZVMT-XVYLWALFSA-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 = 50061153   

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))	BDBM50061153 ((R)-10,13-Dimethyl-6-prop-2-ynyl-1,6,7,8,9,10,11,1...) Show SMILES CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O |t:11| Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h1,13-14,16-18H,5-12H2,2-3H3/t14-,16?,17?,18?,21?,22?/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	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis				J Med Chem 40: 3263-70 (1997) Article DOI: 10.1021/jm970325z BindingDB Entry DOI: 10.7270/Q23J3C33
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50061153 ((R)-10,13-Dimethyl-6-prop-2-ynyl-1,6,7,8,9,10,11,1...) Show SMILES CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O |t:11| Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h1,13-14,16-18H,5-12H2,2-3H3/t14-,16?,17?,18?,21?,22?/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	176	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human placental microsome Cytochrome P450 19A1				J Med Chem 40: 3263-70 (1997) Article DOI: 10.1021/jm970325z BindingDB Entry DOI: 10.7270/Q23J3C33
					More data for this Ligand-Target Pair