Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM186158'   

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))	BDBM186158 (US9163012, 75) Show SMILES Cc1nc2cc(ccc2n1[C@H]1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O)C#N |r,wD:10.11,TLB:18:19:26:24.23.22,17:18:24:26.21.22,THB:18:23:26:19.20.27,20:19:24:26.21.22,20:21:24:19.18.27,(4.04,4,;4.81,2.67,;6.28,2.19,;6.28,.65,;7.42,-.38,;7.1,-1.88,;5.64,-2.36,;4.49,-1.33,;4.81,.18,;3.91,1.42,;2.37,1.42,;1.46,2.67,;-0,2.19,;-0,.65,;1.46,.18,;-1.34,-.12,;-1.34,-1.66,;-2.67,.65,;-4,-.12,;-4,-1.66,;-4.9,-3.58,;-6.1,-2.91,;-6.09,-.51,;-5.33,.65,;-6.67,-.12,;-6.67,-1.66,;-7.5,-3.56,;-5.33,-2.43,;-8,-2.43,;-9.33,-1.66,;-8,-3.97,;8.24,-2.91,;9.33,-4,)| Show InChI InChI=1S/C25H29N5O3/c1-14-28-20-8-15(12-26)2-3-21(20)30(14)19-4-5-29(13-19)24(32)33-22-17-6-16-7-18(22)11-25(9-16,10-17)23(27)31/h2-3,8,16-19,22H,4-7,9-11,13H2,1H3,(H2,27,31)/t16?,17?,18?,19-,22?,25?/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	5.03	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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