Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM186088'   

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))	BDBM186088 (US9163012, 6) Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:9.10,wD:3.2,16.19,TLB:6:7:31:4.5.30,6:5:31:7.9.8,THB:9:7:4:31.29.30,9:29:4:7.6.8,10:9:31:4.5.30,(-9.47,-2.61,;-8.38,-3.7,;-8.78,-5.19,;-6.89,-3.3,;-7.73,-5.2,;-6.33,-4.56,;-5.13,-5.23,;-4.23,-3.3,;-5.56,-4.07,;-4.23,-1.76,;-2.9,-.99,;-1.56,-1.76,;-1.56,-3.3,;-.23,-.99,;-.23,.55,;1.23,1.03,;2.14,-.22,;1.23,-1.47,;3.63,-.62,;4.72,.47,;4.32,1.96,;5.41,3.05,;6.89,2.65,;7.29,1.16,;6.2,.07,;7.98,3.74,;7.58,5.23,;9.47,3.34,;9.07,4.83,;-5.56,-.99,;-6.31,-2.16,;-6.89,-1.76,)| Show InChI InChI=1S/C22H26F3N3O4/c23-22(24,25)15-1-2-17(27-10-15)31-16-3-4-28(11-16)20(30)32-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)29/h1-2,10,12-14,16,18H,3-9,11H2,(H2,26,29)/t12?,13?,14?,16-,18-,21-/m0/s1	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	0.540	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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