Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM186087'   

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))	BDBM186087 (US9163012, 5) 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:9.10,16.19,wD:3.2,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,(-9.53,-2.22,;-8.44,-3.31,;-8.84,-4.8,;-6.95,-2.91,;-7.79,-4.81,;-6.39,-4.17,;-5.19,-4.84,;-4.29,-2.91,;-5.62,-3.68,;-4.29,-1.37,;-2.96,-.6,;-1.63,-1.37,;-1.63,-2.91,;-.29,-.61,;.18,.86,;1.72,.86,;2.2,-.61,;.95,-1.51,;3.69,-1,;4.78,.08,;4.38,1.57,;5.47,2.66,;6.95,2.26,;7.35,.78,;6.26,-.31,;8.04,3.35,;9.53,2.95,;7.64,4.84,;9.13,4.44,;-5.62,-.6,;-6.38,-1.77,;-6.95,-1.37,)| 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-/m1/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	0.990	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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