Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 1' and Ligand = 'BDBM50330995'   

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 1 (Homo sapiens (Human))	BDBM50330995 ((3-hydroxy-4-nitrophenyl)(5-(3-hydroxyphenyl)thiop...) Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccc(c(O)c1)[N+]([O-])=O Show InChI InChI=1S/C17H11NO5S/c19-12-3-1-2-10(8-12)15-6-7-16(24-15)17(21)11-4-5-13(18(22)23)14(20)9-11/h1-9,19-20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	594	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins				J Med Chem 53: 8176-86 (2010) Article DOI: 10.1021/jm101073q BindingDB Entry DOI: 10.7270/Q2R49R0B
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