Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 3' and Ligand = 'BDBM50093902'   

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))	BDBM50093902 ((3R,10S,13S)-3-Benzyl-3-hydroxy-10,13-dimethyl-hex...) Show SMILES C[C@]12CCC3C(CCC4C[C@@](O)(Cc5ccccc5)CC[C@]34C)C1CCC2=O Show InChI InChI=1S/C26H36O2/c1-24-14-15-26(28,16-18-6-4-3-5-7-18)17-19(24)8-9-20-21-10-11-23(27)25(21,2)13-12-22(20)24/h3-7,19-22,28H,8-17H2,1-2H3/t19?,20?,21?,22?,24-,25-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire de Qu£bec and Universit£ Laval Curated by ChEMBL					Assay Description The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 1				J Med Chem 45: 640-53 (2002) BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50093902 ((3R,10S,13S)-3-Benzyl-3-hydroxy-10,13-dimethyl-hex...) Show SMILES C[C@]12CCC3C(CCC4C[C@@](O)(Cc5ccccc5)CC[C@]34C)C1CCC2=O Show InChI InChI=1S/C26H36O2/c1-24-14-15-26(28,16-18-6-4-3-5-7-18)17-19(24)8-9-20-21-10-11-23(27)25(21,2)13-12-22(20)24/h3-7,19-22,28H,8-17H2,1-2H3/t19?,20?,21?,22?,24-,25-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	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
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50093902 ((3R,10S,13S)-3-Benzyl-3-hydroxy-10,13-dimethyl-hex...) Show SMILES C[C@]12CCC3C(CCC4C[C@@](O)(Cc5ccccc5)CC[C@]34C)C1CCC2=O Show InChI InChI=1S/C26H36O2/c1-24-14-15-26(28,16-18-6-4-3-5-7-18)17-19(24)8-9-20-21-10-11-23(27)25(21,2)13-12-22(20)24/h3-7,19-22,28H,8-17H2,1-2H3/t19?,20?,21?,22?,24-,25-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire de Qu£bec and Universit£ Laval Curated by ChEMBL					Assay Description The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 3				J Med Chem 45: 640-53 (2002) BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair