Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM186111'   

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))	BDBM186111 (US9163012, 29) Show SMILES Cn1c2cc(Cl)cnc2n([C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O |r,wU:18.19,10.10,wD:25.32,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,(8.08,2.56,;6.75,1.79,;6.75,.25,;7.89,-.78,;7.57,-2.29,;8.66,-3.38,;6.1,-2.76,;4.96,-1.73,;5.28,-.23,;4.38,1.02,;3.04,1.79,;2.14,3.04,;.67,2.56,;.67,1.02,;2.14,.54,;-.66,.25,;-.66,-1.29,;-2,1.02,;-3.33,.25,;-3.33,-1.29,;-4.23,-3.22,;-5.43,-2.55,;-5.41,-.15,;-4.66,1.02,;-5.99,.25,;-5.99,-1.29,;-6.82,-3.19,;-4.66,-2.06,;-7.32,-2.06,;-8.66,-1.29,;-7.32,-3.6,;5.28,2.27,;4.51,3.6,)| Show InChI InChI=1S/C23H28ClN5O4/c1-27-17-6-15(24)10-26-19(17)29(21(27)31)16-2-3-28(11-16)22(32)33-18-13-4-12-5-14(18)9-23(7-12,8-13)20(25)30/h6,10,12-14,16,18H,2-5,7-9,11H2,1H3,(H2,25,30)/t12?,13?,14?,16-,18-,23-/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	100	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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