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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50324498   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50324498
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccn(C)n1 |(9.34,-1.14,;8.03,-1.95,;6.67,-1.24,;5.37,-2.04,;3.9,-1.61,;3.03,-2.88,;3.97,-4.1,;5.42,-3.58,;6.77,-4.31,;8.08,-3.5,;9.44,-4.22,;10.75,-3.41,;6.74,-5.84,;5.39,-6.58,;5.36,-8.12,;6.68,-8.92,;6.83,-10.51,;8.03,-8.16,;8.06,-6.63,;9.4,-5.89,;1.48,-2.92,;.68,-1.62,;.76,-4.28,;-.78,-4.33,;-1.64,-5.6,;-3.12,-5.16,;-3.16,-3.62,;-4.44,-2.76,;-1.72,-3.11,)|
Show InChI InChI=1S/C19H17Cl2N7O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)28-9-15(24-19(28)23-10)18(29)25-16-5-6-27(2)26-16/h3-7,9H,8,22H2,1-2H3,(H,25,26,29)
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1.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50324498
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccn(C)n1 |(9.34,-1.14,;8.03,-1.95,;6.67,-1.24,;5.37,-2.04,;3.9,-1.61,;3.03,-2.88,;3.97,-4.1,;5.42,-3.58,;6.77,-4.31,;8.08,-3.5,;9.44,-4.22,;10.75,-3.41,;6.74,-5.84,;5.39,-6.58,;5.36,-8.12,;6.68,-8.92,;6.83,-10.51,;8.03,-8.16,;8.06,-6.63,;9.4,-5.89,;1.48,-2.92,;.68,-1.62,;.76,-4.28,;-.78,-4.33,;-1.64,-5.6,;-3.12,-5.16,;-3.16,-3.62,;-4.44,-2.76,;-1.72,-3.11,)|
Show InChI InChI=1S/C19H17Cl2N7O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)28-9-15(24-19(28)23-10)18(29)25-16-5-6-27(2)26-16/h3-7,9H,8,22H2,1-2H3,(H,25,26,29)
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4.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50324498
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccn(C)n1 |(9.34,-1.14,;8.03,-1.95,;6.67,-1.24,;5.37,-2.04,;3.9,-1.61,;3.03,-2.88,;3.97,-4.1,;5.42,-3.58,;6.77,-4.31,;8.08,-3.5,;9.44,-4.22,;10.75,-3.41,;6.74,-5.84,;5.39,-6.58,;5.36,-8.12,;6.68,-8.92,;6.83,-10.51,;8.03,-8.16,;8.06,-6.63,;9.4,-5.89,;1.48,-2.92,;.68,-1.62,;.76,-4.28,;-.78,-4.33,;-1.64,-5.6,;-3.12,-5.16,;-3.16,-3.62,;-4.44,-2.76,;-1.72,-3.11,)|
Show InChI InChI=1S/C19H17Cl2N7O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)28-9-15(24-19(28)23-10)18(29)25-16-5-6-27(2)26-16/h3-7,9H,8,22H2,1-2H3,(H,25,26,29)
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Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair