BDBM50041374 (S)-6-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione::CHEMBL24897

SMILES: CC12CCC3C(C[C@@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O

InChI Key: InChIKey=GOFPYVGJAASCMJ-WDYHNOPSSA-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 = 50041374   

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))	BDBM50041374 ((S)-6-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16| Show InChI InChI=1S/C26H32O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,16,18,20-22H,8-15H2,1-2H3/t18-,20?,21?,22?,25?,26?/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	63	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 aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50041374 ((S)-6-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16| Show InChI InChI=1S/C26H32O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,16,18,20-22H,8-15H2,1-2H3/t18-,20?,21?,22?,25?,26?/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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair