Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50334696'   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50334696 (3-(4-Methoxy-benzenesulfonyl)-thiazolidine-2-carbo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:18:19:21.28.22:26.24.25,28:27:25:21.22.23,THB:18:19:25:21.22.23,28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,(2.68,-17,;4.02,-17.75,;5.34,-16.95,;5.32,-15.41,;6.64,-14.62,;7.98,-15.38,;8.01,-16.91,;6.7,-17.7,;9.3,-14.59,;8.52,-13.25,;10.06,-13.25,;10.65,-15.34,;11.12,-16.8,;12.66,-16.8,;13.14,-15.34,;11.89,-14.43,;11.89,-12.89,;10.55,-12.12,;13.22,-12.12,;14.56,-12.88,;15.75,-11.61,;17.08,-12.1,;18.48,-11.75,;18.49,-10.22,;17.09,-9.64,;15.75,-10.12,;16.05,-10.88,;16.06,-12.46,;17.46,-13.03,)| Show InChI InChI=1S/C21H28N2O4S2/c1-27-17-2-4-18(5-3-17)29(25,26)23-6-7-28-21(23)20(24)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h2-5,13-16,19,21H,6-12H2,1H3,(H,22,24)	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	55	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay				Bioorg Med Chem Lett 21: 435-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.123 BindingDB Entry DOI: 10.7270/Q2FJ2H1K
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