BDBM50311667 (8R,9S,13S,14S)-3-hydroxy-13-methyl-2-phenethyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one::CHEMBL1080306

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CCc5ccccc5)cc34)[C@@H]1CCC2=O

InChI Key: InChIKey=REXBXHWOZHMVGH-HPJLMOCUSA-N

Data: 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 1 hit for monomerid = 50311667   

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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50311667 ((8R,9S,13S,14S)-3-hydroxy-13-methyl-2-phenethyl-7,...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CCc5ccccc5)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C26H30O2/c1-26-14-13-20-21(23(26)11-12-25(26)28)10-9-18-16-24(27)19(15-22(18)20)8-7-17-5-3-2-4-6-17/h2-6,15-16,20-21,23,27H,7-14H2,1H3/t20-,21+,23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Genetics Curated by ChEMBL					Assay Description Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting				Bioorg Med Chem Lett 19: 6740-4 (2009) Article DOI: 10.1016/j.bmcl.2009.09.113 BindingDB Entry DOI: 10.7270/Q20K29HP
					More data for this Ligand-Target Pair