Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM250418'   

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))	BDBM250418 (US9464044, 8) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4cccc(Cl)c4F)CC1)C(C3)C2 |r,wU:9.10,TLB:10:9:30:3.4.31,8:3:30:9.7.6,1:3:9:30.5.6,THB:8:7:30:3.4.31,4:3:9:30.5.6,4:5:9:3.8.31,(9.29,-.66,;8.2,-1.75,;8.6,-3.23,;6.71,-1.35,;5.81,-3.27,;4.61,-2.6,;4.63,-.2,;5.38,.96,;6.71,.19,;4.05,.19,;2.72,.96,;1.38,.19,;1.38,-1.35,;.05,.96,;-1.29,.19,;-2.62,.96,;-3.95,.19,;-4.72,-1.14,;-3.18,-1.14,;-5.29,.96,;-5.29,2.5,;-6.62,3.27,;-7.95,2.5,;-7.95,.96,;-9.29,.19,;-6.62,.19,;-6.62,-1.35,;.82,2.3,;-.72,2.3,;4.05,-1.35,;3.22,-3.25,;5.38,-2.12,)| Show InChI InChI=1S/C22H27ClFN3O4S/c23-15-2-1-3-16(17(15)24)32(30,31)26-11-21(4-5-21)20(29)27-18-13-6-12-7-14(18)10-22(8-12,9-13)19(25)28/h1-3,12-14,18,26H,4-11H2,(H2,25,28)(H,27,29)/t12?,13?,14?,18-,22?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
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