Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4 [K6R,T557I]' and Ligand = 'BDBM167934'   

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))	BDBM167934 (1,5-Dimethyl-2-phenyl-4-(2-phenyl-6-(phenylsulfony...) Show SMILES Cc1c(-c2c(cnc3cc(nn23)-c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(2.21,6.35,;3.68,6.83,;4.92,5.92,;4.92,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;-.32,2.84,;-1.09,1.51,;-2.63,1.51,;-3.4,2.84,;-2.63,4.18,;-1.09,4.18,;7.59,4.38,;6.82,5.72,;8.36,3.05,;8.92,5.15,;8.92,6.69,;10.26,7.46,;11.59,6.69,;11.59,5.15,;10.26,4.38,;6.17,6.83,;7.63,6.35,;5.69,8.29,;6.6,9.54,;5.97,10.95,;6.88,12.19,;8.41,12.03,;9.04,10.62,;8.13,9.38,;4.15,8.29,;3.25,9.54,)| Show InChI InChI=1S/C29H23N5O3S/c1-20-27(29(35)34(32(20)2)22-14-8-4-9-15-22)28-25(38(36,37)23-16-10-5-11-17-23)19-30-26-18-24(31-33(26)28)21-12-6-3-7-13-21/h3-19H,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	313	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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