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SMILES: Cc1c(-c2c(cnc3c4c(C)cc(C)nc4nn23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C

InChI Key: InChIKey=NBCJNMOZVUEPGK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 167937   
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 4 [K6R,T557I]


(Homo sapiens (Human))
BDBM167937
PNG
(4-(8,10-Dimethyl-3-(phenylsulfonyl)pyrido[2',3...)
Show SMILES Cc1c(-c2c(cnc3c4c(C)cc(C)nc4nn23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(-1.25,12.4,;.29,12.4,;1.19,11.15,;.72,9.69,;1.75,8.55,;1.27,7.08,;-.23,6.76,;-1.27,7.91,;-2.81,7.91,;-3.84,6.76,;-3.36,5.3,;-5.34,7.08,;-5.82,8.55,;-7.32,8.87,;-4.79,9.69,;-3.28,9.37,;-2.04,10.28,;-.79,9.37,;3.25,8.87,;3.61,7.37,;2.89,10.36,;4.74,9.26,;5.83,8.18,;7.32,8.57,;7.72,10.06,;6.63,11.15,;5.14,10.75,;2.66,11.63,;3.9,10.73,;2.66,13.17,;3.9,14.08,;5.31,13.45,;6.56,14.35,;6.4,15.89,;4.99,16.51,;3.74,15.61,;1.19,13.65,;.72,15.11,)|
Show InChI InChI=1S/C28H24N6O3S/c1-17-15-18(2)30-26-23(17)27-29-16-22(38(36,37)21-13-9-6-10-14-21)25(33(27)31-26)24-19(3)32(4)34(28(24)35)20-11-7-5-8-12-20/h5-16H,1-4H3
PDB

UniProtKB/SwissProt

B.MOAD
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AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.45E+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