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BDBM167941 Ethyl 6-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-methyl-5-(phenylsulfonyl)nicotinate (25a)

SMILES: CCOC(=O)c1cc(c(nc1C)-c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=NTXABUWDLMBBPP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 167941   
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))		BDBM167941
PNG
(Ethyl 6-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1...)
Show SMILES CCOC(=O)c1cc(c(nc1C)-c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 |(-2.71,-13.72,;-3.34,-12.32,;-2.43,-11.07,;-3.06,-9.66,;-4.59,-9.5,;-2.15,-8.42,;-2.78,-7.01,;-1.87,-5.76,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;.01,-9.99,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;1.33,-2.31,;1.33,-.77,;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,;2.1,-4.68,;3.01,-5.93,;-2.5,-4.36,;-1.09,-3.73,;-3.13,-2.95,;-3.91,-4.98,;-4.07,-6.52,;-5.47,-7.14,;-6.72,-6.24,;-6.56,-4.71,;-5.15,-4.08,)|
Show InChI InChI=1S/C26H25N3O5S/c1-5-34-26(31)21-16-22(35(32,33)20-14-10-7-11-15-20)24(27-17(21)2)23-18(3)28(4)29(25(23)30)19-12-8-6-9-13-19/h6-16H,5H2,1-4H3
PDB

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PC cid
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UniChem

Similars
Article
PubMed
n/an/a 1.76E+4n/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