Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 1' and Ligand = 'BDBM50370657'   

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))	BDBM50370657 (CHEMBL1627742) Show SMILES COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CC(CC(=O)NCc5cccnc5)C4=O)[C@@H]3CCc2cc1O Show InChI InChI=1S/C27H32N2O4/c1-27-8-7-19-20(6-5-17-11-23(30)24(33-2)13-21(17)19)22(27)10-18(26(27)32)12-25(31)29-15-16-4-3-9-28-14-16/h3-4,9,11,13-14,18-20,22,30H,5-8,10,12,15H2,1-2H3,(H,29,31)/t18?,19-,20+,22-,27-/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	290	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibitory activity against 17 beta hydroxysteroid dehydrogenase type 1 in T47D cells				J Med Chem 48: 2759-62 (2005) Article DOI: 10.1021/jm049045r BindingDB Entry DOI: 10.7270/Q2BG2PSW
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