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BDBM167939 1',5'-Dimethyl-2,2'-diphenyl-5-(phenylsulfonyl)-1'H,2H-[3,4'-bipyrazol]-3'(2'H)-one (19)

SMILES: Cc1c(-c2cc(nn2-c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C

InChI Key: InChIKey=DBMXYALXKYPVEZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 167939   
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))		BDBM167939
PNG
(1',5'-Dimethyl-2,2'-diphenyl-5-(phenyl...)
Show SMILES Cc1c(-c2cc(nn2-c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(4.04,-11.23,;2.58,-10.76,;2.1,-9.29,;3.01,-8.05,;2.53,-6.58,;3.78,-5.68,;5.02,-6.58,;4.55,-8.05,;5.45,-9.29,;6.99,-9.13,;7.89,-10.38,;7.26,-11.78,;5.73,-11.94,;4.83,-10.7,;3.78,-4.14,;2.24,-4.14,;5.32,-4.14,;3.78,-2.6,;2.45,-1.83,;2.45,-.29,;3.78,.48,;5.11,-.29,;5.11,-1.83,;.56,-9.29,;-.34,-8.05,;.09,-10.76,;-1.38,-11.23,;-1.7,-12.74,;-3.16,-13.21,;-4.31,-12.18,;-3.99,-10.68,;-2.52,-10.2,;1.33,-11.66,;1.33,-13.2,)|
Show InChI InChI=1S/C26H22N4O3S/c1-19-25(26(31)30(28(19)2)21-14-8-4-9-15-21)23-18-24(27-29(23)20-12-6-3-7-13-20)34(32,33)22-16-10-5-11-17-22/h3-18H,1-2H3
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.64E+3n/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