Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM186108'   

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))	BDBM186108 (US9163012, 26) Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CCC(C1)c1ncc(Cl)cn1)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:7:27:4.5.26,6:5:27:7.9.8,THB:9:7:4:27.25.26,9:25:4:7.6.8,10:9:27:4.5.26,(-8.83,-1.01,;-7.49,-1.78,;-7.49,-3.32,;-6.16,-1.01,;-6.99,-2.91,;-5.6,-2.27,;-4.39,-2.93,;-3.5,-1.01,;-4.82,-1.78,;-3.5,.53,;-2.16,1.3,;-.83,.53,;-.83,-1.01,;.51,1.3,;.51,2.84,;1.97,3.32,;2.87,2.07,;1.97,.83,;4.36,1.67,;4.76,.19,;6.25,-.21,;7.34,.88,;8.83,.48,;6.94,2.36,;5.45,2.76,;-4.82,1.3,;-5.58,.14,;-6.16,.53,)| Show InChI InChI=1S/C20H25ClN4O3/c21-15-8-23-17(24-9-15)12-1-2-25(10-12)19(27)28-16-13-3-11-4-14(16)7-20(5-11,6-13)18(22)26/h8-9,11-14,16H,1-7,10H2,(H2,22,26)/t11?,12?,13?,14?,16-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	25
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...				US Patent US9163012 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W45
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