Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4 [K6R,T557I]' and Ligand = 'BDBM167944'   

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))	BDBM167944 (1,5-Dimethyl-4-(3-methyl-1-phenyl-5-(phenylsulfony...) Show SMILES Cc1nn(-c2ccccc2)c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)c(cc12)S(=O)(=O)c1ccccc1 |(-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.92,-3.73,;-3.45,-2.26,;;1.33,-.77,;2.67,,;4,-.77,;5.41,-.14,;5.73,1.36,;6.44,-1.29,;7.97,-1.13,;5.67,-2.62,;6.29,-4.03,;7.83,-4.19,;8.45,-5.6,;7.55,-6.84,;6.02,-6.68,;5.39,-5.27,;4.16,-2.3,;3.02,-3.33,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.77,.98,;5.33,3.08,;3.23,3.64,;1.69,3.64,;.92,4.98,;1.69,6.31,;3.23,6.31,;4,4.98,)| Show InChI InChI=1S/C30H25N5O3S/c1-20-25-19-26(39(37,38)24-17-11-6-12-18-24)28(31-29(25)34(32-20)22-13-7-4-8-14-22)27-21(2)33(3)35(30(27)36)23-15-9-5-10-16-23/h4-19H,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>50	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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