Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM186096'   

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))	BDBM186096 (US9163012, 14) Show SMILES CCOC(=O)C1(Cc2ccccc2OC)CCCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:22:23:25:27.28.29,THB:23:31:27:25.24.29,23:24:27:31.30.32,30:31:25:27.28.29,30:28:25:31.32.23,(-4.48,-10.7,;-2.94,-10.7,;-2.17,-9.36,;-.63,-9.36,;.14,-10.7,;.14,-8.03,;-1.4,-8.03,;-2.17,-6.7,;-3.71,-6.7,;-4.48,-5.36,;-3.71,-4.03,;-2.17,-4.03,;-1.4,-5.36,;.14,-5.36,;.91,-4.03,;.14,-6.49,;1.47,-5.72,;2.81,-6.49,;2.81,-8.03,;1.47,-8.8,;4.14,-8.8,;4.14,-10.34,;5.47,-8.03,;6.81,-8.8,;8.14,-8.03,;9.47,-8.8,;9.47,-10.34,;10.3,-12.24,;8.91,-11.6,;8.89,-9.2,;7.7,-12.27,;6.81,-10.34,;8.14,-11.11,)| Show InChI InChI=1S/C27H37NO5/c1-3-32-25(29)27(16-20-7-4-5-8-23(20)31-2)9-6-10-28(17-27)26(30)33-24-21-12-18-11-19(14-21)15-22(24)13-18/h4-5,7-8,18-19,21-22,24H,3,6,9-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.15	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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