Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.5 BDBM50171452

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50171452 ((3R,10S,13S)-3-Benzyl-3-methoxy-10,13-dimethyl-hex...) Show SMILES CO[C@]1(Cc2ccccc2)CC[C@@]2(C)C(CCC3C4CCC(=O)[C@@]4(C)CCC23)C1 Show InChI InChI=1S/C27H38O2/c1-25-15-16-27(29-3,17-19-7-5-4-6-8-19)18-20(25)9-10-21-22-11-12-24(28)26(22,2)14-13-23(21)25/h4-8,20-23H,9-18H2,1-3H3/t20?,21?,22?,23?,25-,26-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
CHUQ-Pavillon CHUL and Universit£ Laval Curated by ChEMBL					Assay Description Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK293 cells at 37 degree C pH7.4				J Med Chem 48: 5257-68 (2005) Article DOI: 10.1021/jm058179h BindingDB Entry DOI: 10.7270/Q21C1XNS
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