Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7' and Ligand = 'BDBM50311131'   

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
3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7 (Homo sapiens (Human))	BDBM50311131 ((2'R,4aR,4bS,6aS,9aS,9bR,11aR)-1,4a,5',5',6a-penta...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@@]5(CCC(C)(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O |r| Show InChI InChI=1S/C25H39NO3/c1-22(2)14-15-25(29-21(22)28)13-9-18-16-6-7-19-23(3,11-10-20(27)26(19)5)17(16)8-12-24(18,25)4/h16-19H,6-15H2,1-5H3/t16-,17+,18+,19-,23-,24+,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
CHUQ (CHUL) Research Center and Laval University Curated by ChEMBL					Assay Description Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol after 7 hrs				J Med Chem 52: 7488-502 (2009) Article DOI: 10.1021/jm900921c BindingDB Entry DOI: 10.7270/Q2KK9BXD
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