Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM186099'   

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))	BDBM186099 (US9163012, 17) Show SMILES Cn1c2ccc(cc2ccc1=O)C1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:19:20:22:24.25.26,THB:20:28:24:22.21.26,20:21:24:28.27.29,27:28:22:24.25.26,27:25:22:28.20.29,(7.02,-1.27,;6.62,.22,;5.13,.62,;4.04,-.47,;2.56,-.07,;2.16,1.41,;3.25,2.5,;4.73,2.1,;5.82,3.19,;7.31,2.79,;7.71,1.31,;9.2,.91,;.67,1.81,;-.24,3.06,;-1.7,2.58,;-1.7,1.04,;-.24,.57,;-3.03,.27,;-3.03,-1.27,;-4.37,1.04,;-5.7,.27,;-7.03,1.04,;-8.36,.27,;-8.36,-1.27,;-9.2,-3.17,;-7.8,-2.53,;-7.78,-.12,;-6.6,-3.19,;-5.7,-1.27,;-7.03,-2.04,)| Show InChI InChI=1S/C25H30N2O3/c1-26-22-4-2-17(13-18(22)3-5-23(26)28)19-6-7-27(14-19)25(29)30-24-20-9-15-8-16(11-20)12-21(24)10-15/h2-5,13,15-16,19-21,24H,6-12,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.96	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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