BDBM50311675 (4bR,10bS,12aS)-9-bromo-8-hydroxy-12a-methyl-2,3,4,4a,5,6,10b,11,12,12a-decahydrochrysen-1(4bH)-one::CHEMBL1081362

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Br)cc34)[C@@H]1CCCC2=O

InChI Key: InChIKey=HDRDXBUMXMJISX-QPWUGHHJSA-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 = 50311675   

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))	BDBM50311675 ((4bR,10bS,12aS)-9-bromo-8-hydroxy-12a-methyl-2,3,4...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Br)cc34)[C@@H]1CCCC2=O |r| Show InChI InChI=1S/C19H23BrO2/c1-19-8-7-12-13(15(19)3-2-4-18(19)22)6-5-11-9-17(21)16(20)10-14(11)12/h9-10,12-13,15,21H,2-8H2,1H3/t12-,13+,15-,19-/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	73	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