Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 346.5 BDBM50171451

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))	BDBM50171451 ((3R,10S,13S)-3-tert-Butyl-3-hydroxy-10,13-dimethyl...) Show SMILES CC(C)(C)[C@@]1(O)CC[C@@]2(C)C(CCC3C4CCC(=O)[C@@]4(C)CCC23)C1 Show InChI InChI=1S/C23H38O2/c1-20(2,3)23(25)13-12-21(4)15(14-23)6-7-16-17-8-9-19(24)22(17,5)11-10-18(16)21/h15-18,25H,6-14H2,1-5H3/t15?,16?,17?,18?,21-,22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	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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