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BDBM167932 1,5-Dimethyl-2-phenyl-4-(6-(phenylsulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1H-pyrazol-3(2H)-one (3)

SMILES: Cc1c(-c2c(cnc3ncnn23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C

InChI Key: InChIKey=FDJUWIFQBPMRKW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 167932   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))		BDBM167932
PNG
(1,5-Dimethyl-2-phenyl-4-(6-(phenylsulfonyl)-[1,2,4...)
Show SMILES Cc1c(-c2c(cnc3ncnn23)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,;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/C22H18N6O3S/c1-15-19(21(29)28(26(15)2)16-9-5-3-6-10-16)20-18(13-23-22-24-14-25-27(20)22)32(30,31)17-11-7-4-8-12-17/h3-14H,1-2H3
PDB

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Similars
Article
PubMed
n/an/a 107n/an/an/an/an/a25



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
More data for this
Ligand-Target Pair