Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4 [K6R,T557I]' and Ligand = 'BDBM167940'   

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
Dipeptidyl peptidase 4 [K6R,T557I] (Homo sapiens (Human))	BDBM167940 (6-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1Hpyraz...) Show SMILES Cc1c(-c2[nH]c(=O)c(cc2S(=O)(=O)c2ccccc2)C#N)c(=O)n(-c2ccccc2)n1C |(-1.38,-2.74,;.09,-3.22,;.56,-4.68,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;.01,-9.99,;-2.15,-8.42,;-2.78,-7.01,;-1.87,-5.76,;-2.5,-4.36,;-3.91,-4.98,;-1.09,-3.73,;-3.13,-2.95,;-4.66,-2.79,;-5.28,-1.38,;-4.38,-.14,;-2.85,-.3,;-2.22,-1.71,;-3.06,-9.66,;-3.96,-10.91,;2.1,-4.68,;3.01,-5.93,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;6.65,-3.29,;5.19,-3.77,;1.33,-2.31,;1.33,-.77,)| Show InChI InChI=1S/C23H18N4O4S/c1-15-20(23(29)27(26(15)2)17-9-5-3-6-10-17)21-19(13-16(14-24)22(28)25-21)32(30,31)18-11-7-4-8-12-18/h3-13H,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	25
Cairo University					Assay Description A 200-µL reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...				Chem Biol Drug Des 86: 1292-303 (2015) Article DOI: 10.1111/cbdd.12593 BindingDB Entry DOI: 10.7270/Q2M32THN
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