BDBM50311678 (4bR,10bS,12aS)-9-allyl-8-hydroxy-12a-methyl-2,3,4,4a,5,6,10b,11,12,12a-decahydrochrysen-1(4bH)-one::CHEMBL1080634

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

InChI Key: InChIKey=DOTIAKJHFPZUKI-YZIUBNRHSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50311678   

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))	BDBM50311678 ((4bR,10bS,12aS)-9-allyl-8-hydroxy-12a-methyl-2,3,4...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CC=C)cc34)[C@@H]1CCCC2=O |r| Show InChI InChI=1S/C22H28O2/c1-3-5-15-12-18-14(13-20(15)23)8-9-17-16(18)10-11-22(2)19(17)6-4-7-21(22)24/h3,12-13,16-17,19,23H,1,4-11H2,2H3/t16-,17+,19-,22-/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	32	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