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PubMed code 20833042

Compile data set for download or QSAR
Found 51 hits of Enzyme Inhibition Constant Data   
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))		BDBM50323168
PNG
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3
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 9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328787
PNG
((5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccccc1Cl |(25.85,7.56,;26.62,6.22,;25.85,4.89,;24.31,4.89,;23.54,3.56,;24.31,2.22,;25.85,2.22,;26.61,3.55,;28.15,3.55,;29.05,2.31,;30.52,2.78,;31.85,2.01,;33.19,2.78,;34.52,2.01,;35.85,2.79,;33.18,4.33,;34.51,5.11,;31.85,5.1,;30.52,4.32,;29.05,4.8,;31.85,.47,;30.52,-.3,;30.51,-1.83,;31.85,-2.61,;33.19,-1.83,;33.18,-.29,;34.51,.48,)|
Show InChI InChI=1S/C21H19ClN4O/c1-13-16(11-23)20(14-7-3-5-9-17(14)22)26-12-18(25-21(26)24-13)15-8-4-6-10-19(15)27-2/h3-10,12H,11,23H2,1-2H3
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 11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50323168
PNG
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3
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 15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50323168
PNG
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3
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 15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328800
PNG
((2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichloroph...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cc(Cl)cc1Cl |(24.28,-40,;25.05,-41.33,;24.28,-42.66,;22.74,-42.66,;21.96,-44,;22.74,-45.33,;24.28,-45.33,;25.04,-44,;26.58,-44,;27.48,-45.25,;28.94,-44.77,;30.28,-45.54,;31.62,-44.77,;32.95,-45.54,;34.28,-44.77,;31.61,-43.22,;32.94,-42.45,;30.28,-42.46,;28.95,-43.23,;27.48,-42.76,;30.28,-47.08,;28.94,-47.85,;27.61,-47.08,;28.94,-49.39,;30.28,-50.16,;30.28,-51.7,;31.62,-49.38,;31.61,-47.84,;32.94,-47.07,)|
Show InChI InChI=1S/C21H17Cl3N4O/c1-11-14(9-25)20(19-15(23)7-12(22)8-16(19)24)28-10-17(27-21(28)26-11)13-5-3-4-6-18(13)29-2/h3-8,10H,9,25H2,1-2H3
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 19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328787
PNG
((5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccccc1Cl |(25.85,7.56,;26.62,6.22,;25.85,4.89,;24.31,4.89,;23.54,3.56,;24.31,2.22,;25.85,2.22,;26.61,3.55,;28.15,3.55,;29.05,2.31,;30.52,2.78,;31.85,2.01,;33.19,2.78,;34.52,2.01,;35.85,2.79,;33.18,4.33,;34.51,5.11,;31.85,5.1,;30.52,4.32,;29.05,4.8,;31.85,.47,;30.52,-.3,;30.51,-1.83,;31.85,-2.61,;33.19,-1.83,;33.18,-.29,;34.51,.48,)|
Show InChI InChI=1S/C21H19ClN4O/c1-13-16(11-23)20(14-7-3-5-9-17(14)22)26-12-18(25-21(26)24-13)15-8-4-6-10-19(15)27-2/h3-10,12H,11,23H2,1-2H3
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 26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328787
PNG
((5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccccc1Cl |(25.85,7.56,;26.62,6.22,;25.85,4.89,;24.31,4.89,;23.54,3.56,;24.31,2.22,;25.85,2.22,;26.61,3.55,;28.15,3.55,;29.05,2.31,;30.52,2.78,;31.85,2.01,;33.19,2.78,;34.52,2.01,;35.85,2.79,;33.18,4.33,;34.51,5.11,;31.85,5.1,;30.52,4.32,;29.05,4.8,;31.85,.47,;30.52,-.3,;30.51,-1.83,;31.85,-2.61,;33.19,-1.83,;33.18,-.29,;34.51,.48,)|
Show InChI InChI=1S/C21H19ClN4O/c1-13-16(11-23)20(14-7-3-5-9-17(14)22)26-12-18(25-21(26)24-13)15-8-4-6-10-19(15)27-2/h3-10,12H,11,23H2,1-2H3
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 26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328799
PNG
((5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxypheny...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(F)cc(C)cc1F |(9.54,-40.41,;10.31,-41.75,;9.54,-43.08,;8,-43.07,;7.23,-44.41,;8,-45.75,;9.54,-45.74,;10.3,-44.41,;11.84,-44.41,;12.74,-45.66,;14.21,-45.19,;15.54,-45.96,;16.88,-45.18,;18.21,-45.95,;19.54,-45.18,;16.87,-43.63,;18.2,-42.86,;15.54,-42.87,;14.21,-43.65,;12.74,-43.17,;15.54,-47.49,;14.21,-48.26,;12.87,-47.49,;14.2,-49.8,;15.54,-50.57,;15.54,-52.11,;16.88,-49.79,;16.87,-48.26,;18.2,-47.48,)|
Show InChI InChI=1S/C22H20F2N4O/c1-12-8-16(23)20(17(24)9-12)21-15(10-25)13(2)26-22-27-18(11-28(21)22)14-6-4-5-7-19(14)29-3/h4-9,11H,10,25H2,1-3H3
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 27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328788
PNG
((5-(4-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)cc3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H19ClN4O/c1-13-17(11-23)20(14-7-9-15(22)10-8-14)26-12-18(25-21(26)24-13)16-5-3-4-6-19(16)27-2/h3-10,12H,11,23H2,1-2H3
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 96n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328798
PNG
((5-mesityl-2-(2-methoxyphenyl)-7-methylimidazo[1,2...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(C)cc(C)cc1C |(-7.53,-39.02,;-6.76,-40.35,;-7.53,-41.68,;-9.07,-41.68,;-9.85,-43.02,;-9.07,-44.35,;-7.53,-44.35,;-6.77,-43.02,;-5.23,-43.02,;-4.33,-44.27,;-2.87,-43.79,;-1.53,-44.56,;-.2,-43.79,;1.14,-44.56,;2.47,-43.79,;-.2,-42.24,;1.13,-41.47,;-1.54,-41.48,;-2.86,-42.25,;-4.33,-41.78,;-1.53,-46.1,;-.2,-46.86,;1.13,-46.09,;-.19,-48.4,;-1.53,-49.18,;-1.53,-50.72,;-2.87,-48.41,;-2.87,-46.87,;-4.2,-46.1,)|
Show InChI InChI=1S/C24H26N4O/c1-14-10-15(2)22(16(3)11-14)23-19(12-25)17(4)26-24-27-20(13-28(23)24)18-8-6-7-9-21(18)29-5/h6-11,13H,12,25H2,1-5H3
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 113n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328791
PNG
((5-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cccc1Cl |(26.4,-3.77,;27.16,-5.11,;26.39,-6.44,;24.85,-6.43,;24.08,-7.77,;24.86,-9.11,;26.39,-9.1,;27.16,-7.78,;28.69,-7.77,;29.6,-9.02,;31.06,-8.55,;32.39,-9.32,;33.73,-8.55,;35.07,-9.31,;36.4,-8.54,;33.73,-6.99,;35.06,-6.22,;32.39,-6.23,;31.06,-7.01,;29.6,-6.53,;32.4,-10.85,;33.73,-11.62,;35.06,-10.85,;33.73,-13.16,;32.39,-13.93,;31.06,-13.16,;31.06,-11.62,;29.73,-10.85,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-14(10-24)20(19-15(22)7-5-8-16(19)23)27-11-17(26-21(27)25-12)13-6-3-4-9-18(13)28-2/h3-9,11H,10,24H2,1-2H3
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 113n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328789
PNG
((2-(2-methoxyphenyl)-7-methyl-5-phenylimidazo[1,2-...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccccc3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H20N4O/c1-14-17(12-22)20(15-8-4-3-5-9-15)25-13-18(24-21(25)23-14)16-10-6-7-11-19(16)26-2/h3-11,13H,12,22H2,1-2H3
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 241n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328795
PNG
((5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(C)c(F)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C22H21FN4O/c1-13-8-9-15(10-18(13)23)21-17(11-24)14(2)25-22-26-19(12-27(21)22)16-6-4-5-7-20(16)28-3/h4-10,12H,11,24H2,1-3H3
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 438n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328794
PNG
((5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)c(F)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H18ClFN4O/c1-12-15(10-24)20(13-7-8-16(22)17(23)9-13)27-11-18(26-21(27)25-12)14-5-3-4-6-19(14)28-2/h3-9,11H,10,24H2,1-2H3
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 495n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328793
PNG
((5-(3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(-c3cccc(F)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H19FN4O/c1-13-17(11-23)20(14-6-5-7-15(22)10-14)26-12-18(25-21(26)24-13)16-8-3-4-9-19(16)27-2/h3-10,12H,11,23H2,1-2H3
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 550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328792
PNG
((5-(3,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)c(Cl)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-15(10-24)20(13-7-8-16(22)17(23)9-13)27-11-18(26-21(27)25-12)14-5-3-4-6-19(14)28-2/h3-9,11H,10,24H2,1-2H3
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 612n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328790
PNG
((5-(3-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(-c3cccc(Cl)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H19ClN4O/c1-13-17(11-23)20(14-6-5-7-15(22)10-14)26-12-18(25-21(26)24-13)16-8-3-4-9-19(16)27-2/h3-10,12H,11,23H2,1-2H3
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 1.53E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50323168
PNG
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3
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 7.83E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50323168
PNG
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3
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 7.84E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50323168
PNG
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328787
PNG
((5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccccc1Cl |(25.85,7.56,;26.62,6.22,;25.85,4.89,;24.31,4.89,;23.54,3.56,;24.31,2.22,;25.85,2.22,;26.61,3.55,;28.15,3.55,;29.05,2.31,;30.52,2.78,;31.85,2.01,;33.19,2.78,;34.52,2.01,;35.85,2.79,;33.18,4.33,;34.51,5.11,;31.85,5.1,;30.52,4.32,;29.05,4.8,;31.85,.47,;30.52,-.3,;30.51,-1.83,;31.85,-2.61,;33.19,-1.83,;33.18,-.29,;34.51,.48,)|
Show InChI InChI=1S/C21H19ClN4O/c1-13-16(11-23)20(14-7-3-5-9-17(14)22)26-12-18(25-21(26)24-13)15-8-4-6-10-19(15)27-2/h3-10,12H,11,23H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328796
PNG
((5-(3-fluoro-4-(trifluoromethyl)phenyl)-2-(2-metho...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(c(F)c3)C(F)(F)F)c(CN)c(C)nc2n1
Show InChI InChI=1S/C22H18F4N4O/c1-12-15(10-27)20(13-7-8-16(17(23)9-13)22(24,25)26)30-11-18(29-21(30)28-12)14-5-3-4-6-19(14)31-2/h3-9,11H,10,27H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328787
PNG
((5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccccc1Cl |(25.85,7.56,;26.62,6.22,;25.85,4.89,;24.31,4.89,;23.54,3.56,;24.31,2.22,;25.85,2.22,;26.61,3.55,;28.15,3.55,;29.05,2.31,;30.52,2.78,;31.85,2.01,;33.19,2.78,;34.52,2.01,;35.85,2.79,;33.18,4.33,;34.51,5.11,;31.85,5.1,;30.52,4.32,;29.05,4.8,;31.85,.47,;30.52,-.3,;30.51,-1.83,;31.85,-2.61,;33.19,-1.83,;33.18,-.29,;34.51,.48,)|
Show InChI InChI=1S/C21H19ClN4O/c1-13-16(11-23)20(14-7-3-5-9-17(14)22)26-12-18(25-21(26)24-13)15-8-4-6-10-19(15)27-2/h3-10,12H,11,23H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50328797
PNG
((5-(4-chloro-3-(trifluoromethyl)phenyl)-2-(2-metho...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)c(c3)C(F)(F)F)c(CN)c(C)nc2n1
Show InChI InChI=1S/C22H18ClF3N4O/c1-12-15(10-27)20(13-7-8-17(23)16(9-13)22(24,25)26)30-11-18(29-21(30)28-12)14-5-3-4-6-19(14)31-2/h3-9,11H,10,27H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50323168
PNG
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328791
PNG
((5-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cccc1Cl |(26.4,-3.77,;27.16,-5.11,;26.39,-6.44,;24.85,-6.43,;24.08,-7.77,;24.86,-9.11,;26.39,-9.1,;27.16,-7.78,;28.69,-7.77,;29.6,-9.02,;31.06,-8.55,;32.39,-9.32,;33.73,-8.55,;35.07,-9.31,;36.4,-8.54,;33.73,-6.99,;35.06,-6.22,;32.39,-6.23,;31.06,-7.01,;29.6,-6.53,;32.4,-10.85,;33.73,-11.62,;35.06,-10.85,;33.73,-13.16,;32.39,-13.93,;31.06,-13.16,;31.06,-11.62,;29.73,-10.85,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-14(10-24)20(19-15(22)7-5-8-16(19)23)27-11-17(26-21(27)25-12)13-6-3-4-9-18(13)28-2/h3-9,11H,10,24H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328800
PNG
((2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichloroph...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cc(Cl)cc1Cl |(24.28,-40,;25.05,-41.33,;24.28,-42.66,;22.74,-42.66,;21.96,-44,;22.74,-45.33,;24.28,-45.33,;25.04,-44,;26.58,-44,;27.48,-45.25,;28.94,-44.77,;30.28,-45.54,;31.62,-44.77,;32.95,-45.54,;34.28,-44.77,;31.61,-43.22,;32.94,-42.45,;30.28,-42.46,;28.95,-43.23,;27.48,-42.76,;30.28,-47.08,;28.94,-47.85,;27.61,-47.08,;28.94,-49.39,;30.28,-50.16,;30.28,-51.7,;31.62,-49.38,;31.61,-47.84,;32.94,-47.07,)|
Show InChI InChI=1S/C21H17Cl3N4O/c1-11-14(9-25)20(19-15(23)7-12(22)8-16(19)24)28-10-17(27-21(28)26-11)13-5-3-4-6-18(13)29-2/h3-8,10H,9,25H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328794
PNG
((5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)c(F)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H18ClFN4O/c1-12-15(10-24)20(13-7-8-16(22)17(23)9-13)27-11-18(26-21(27)25-12)14-5-3-4-6-19(14)28-2/h3-9,11H,10,24H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328798
PNG
((5-mesityl-2-(2-methoxyphenyl)-7-methylimidazo[1,2...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(C)cc(C)cc1C |(-7.53,-39.02,;-6.76,-40.35,;-7.53,-41.68,;-9.07,-41.68,;-9.85,-43.02,;-9.07,-44.35,;-7.53,-44.35,;-6.77,-43.02,;-5.23,-43.02,;-4.33,-44.27,;-2.87,-43.79,;-1.53,-44.56,;-.2,-43.79,;1.14,-44.56,;2.47,-43.79,;-.2,-42.24,;1.13,-41.47,;-1.54,-41.48,;-2.86,-42.25,;-4.33,-41.78,;-1.53,-46.1,;-.2,-46.86,;1.13,-46.09,;-.19,-48.4,;-1.53,-49.18,;-1.53,-50.72,;-2.87,-48.41,;-2.87,-46.87,;-4.2,-46.1,)|
Show InChI InChI=1S/C24H26N4O/c1-14-10-15(2)22(16(3)11-14)23-19(12-25)17(4)26-24-27-20(13-28(23)24)18-8-6-7-9-21(18)29-5/h6-11,13H,12,25H2,1-5H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328794
PNG
((5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)c(F)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H18ClFN4O/c1-12-15(10-24)20(13-7-8-16(22)17(23)9-13)27-11-18(26-21(27)25-12)14-5-3-4-6-19(14)28-2/h3-9,11H,10,24H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328788
PNG
((5-(4-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)cc3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H19ClN4O/c1-13-17(11-23)20(14-7-9-15(22)10-8-14)26-12-18(25-21(26)24-13)16-5-3-4-6-19(16)27-2/h3-10,12H,11,23H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328800
PNG
((2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichloroph...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cc(Cl)cc1Cl |(24.28,-40,;25.05,-41.33,;24.28,-42.66,;22.74,-42.66,;21.96,-44,;22.74,-45.33,;24.28,-45.33,;25.04,-44,;26.58,-44,;27.48,-45.25,;28.94,-44.77,;30.28,-45.54,;31.62,-44.77,;32.95,-45.54,;34.28,-44.77,;31.61,-43.22,;32.94,-42.45,;30.28,-42.46,;28.95,-43.23,;27.48,-42.76,;30.28,-47.08,;28.94,-47.85,;27.61,-47.08,;28.94,-49.39,;30.28,-50.16,;30.28,-51.7,;31.62,-49.38,;31.61,-47.84,;32.94,-47.07,)|
Show InChI InChI=1S/C21H17Cl3N4O/c1-11-14(9-25)20(19-15(23)7-12(22)8-16(19)24)28-10-17(27-21(28)26-11)13-5-3-4-6-18(13)29-2/h3-8,10H,9,25H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328796
PNG
((5-(3-fluoro-4-(trifluoromethyl)phenyl)-2-(2-metho...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(c(F)c3)C(F)(F)F)c(CN)c(C)nc2n1
Show InChI InChI=1S/C22H18F4N4O/c1-12-15(10-27)20(13-7-8-16(17(23)9-13)22(24,25)26)30-11-18(29-21(30)28-12)14-5-3-4-6-19(14)31-2/h3-9,11H,10,27H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328797
PNG
((5-(4-chloro-3-(trifluoromethyl)phenyl)-2-(2-metho...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)c(c3)C(F)(F)F)c(CN)c(C)nc2n1
Show InChI InChI=1S/C22H18ClF3N4O/c1-12-15(10-27)20(13-7-8-17(23)16(9-13)22(24,25)26)30-11-18(29-21(30)28-12)14-5-3-4-6-19(14)31-2/h3-9,11H,10,27H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328790
PNG
((5-(3-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(-c3cccc(Cl)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H19ClN4O/c1-13-17(11-23)20(14-6-5-7-15(22)10-14)26-12-18(25-21(26)24-13)16-8-3-4-9-19(16)27-2/h3-10,12H,11,23H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328796
PNG
((5-(3-fluoro-4-(trifluoromethyl)phenyl)-2-(2-metho...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(c(F)c3)C(F)(F)F)c(CN)c(C)nc2n1
Show InChI InChI=1S/C22H18F4N4O/c1-12-15(10-27)20(13-7-8-16(17(23)9-13)22(24,25)26)30-11-18(29-21(30)28-12)14-5-3-4-6-19(14)31-2/h3-9,11H,10,27H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328792
PNG
((5-(3,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)c(Cl)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-15(10-24)20(13-7-8-16(22)17(23)9-13)27-11-18(26-21(27)25-12)14-5-3-4-6-19(14)28-2/h3-9,11H,10,24H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328790
PNG
((5-(3-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(-c3cccc(Cl)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H19ClN4O/c1-13-17(11-23)20(14-6-5-7-15(22)10-14)26-12-18(25-21(26)24-13)16-8-3-4-9-19(16)27-2/h3-10,12H,11,23H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328793
PNG
((5-(3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(-c3cccc(F)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H19FN4O/c1-13-17(11-23)20(14-6-5-7-15(22)10-14)26-12-18(25-21(26)24-13)16-8-3-4-9-19(16)27-2/h3-10,12H,11,23H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328788
PNG
((5-(4-chlorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)cc3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H19ClN4O/c1-13-17(11-23)20(14-7-9-15(22)10-8-14)26-12-18(25-21(26)24-13)16-5-3-4-6-19(16)27-2/h3-10,12H,11,23H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328798
PNG
((5-mesityl-2-(2-methoxyphenyl)-7-methylimidazo[1,2...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(C)cc(C)cc1C |(-7.53,-39.02,;-6.76,-40.35,;-7.53,-41.68,;-9.07,-41.68,;-9.85,-43.02,;-9.07,-44.35,;-7.53,-44.35,;-6.77,-43.02,;-5.23,-43.02,;-4.33,-44.27,;-2.87,-43.79,;-1.53,-44.56,;-.2,-43.79,;1.14,-44.56,;2.47,-43.79,;-.2,-42.24,;1.13,-41.47,;-1.54,-41.48,;-2.86,-42.25,;-4.33,-41.78,;-1.53,-46.1,;-.2,-46.86,;1.13,-46.09,;-.19,-48.4,;-1.53,-49.18,;-1.53,-50.72,;-2.87,-48.41,;-2.87,-46.87,;-4.2,-46.1,)|
Show InChI InChI=1S/C24H26N4O/c1-14-10-15(2)22(16(3)11-14)23-19(12-25)17(4)26-24-27-20(13-28(23)24)18-8-6-7-9-21(18)29-5/h6-11,13H,12,25H2,1-5H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328795
PNG
((5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(C)c(F)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C22H21FN4O/c1-13-8-9-15(10-18(13)23)21-17(11-24)14(2)25-22-26-19(12-27(21)22)16-6-4-5-7-20(16)28-3/h4-10,12H,11,24H2,1-3H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328789
PNG
((2-(2-methoxyphenyl)-7-methyl-5-phenylimidazo[1,2-...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccccc3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H20N4O/c1-14-17(12-22)20(15-8-4-3-5-9-15)25-13-18(24-21(25)23-14)16-10-6-7-11-19(16)26-2/h3-11,13H,12,22H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328795
PNG
((5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(C)c(F)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C22H21FN4O/c1-13-8-9-15(10-18(13)23)21-17(11-24)14(2)25-22-26-19(12-27(21)22)16-6-4-5-7-20(16)28-3/h4-10,12H,11,24H2,1-3H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328799
PNG
((5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxypheny...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(F)cc(C)cc1F |(9.54,-40.41,;10.31,-41.75,;9.54,-43.08,;8,-43.07,;7.23,-44.41,;8,-45.75,;9.54,-45.74,;10.3,-44.41,;11.84,-44.41,;12.74,-45.66,;14.21,-45.19,;15.54,-45.96,;16.88,-45.18,;18.21,-45.95,;19.54,-45.18,;16.87,-43.63,;18.2,-42.86,;15.54,-42.87,;14.21,-43.65,;12.74,-43.17,;15.54,-47.49,;14.21,-48.26,;12.87,-47.49,;14.2,-49.8,;15.54,-50.57,;15.54,-52.11,;16.88,-49.79,;16.87,-48.26,;18.2,-47.48,)|
Show InChI InChI=1S/C22H20F2N4O/c1-12-8-16(23)20(17(24)9-12)21-15(10-25)13(2)26-22-27-18(11-28(21)22)14-6-4-5-7-19(14)29-3/h4-9,11H,10,25H2,1-3H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328799
PNG
((5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxypheny...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(F)cc(C)cc1F |(9.54,-40.41,;10.31,-41.75,;9.54,-43.08,;8,-43.07,;7.23,-44.41,;8,-45.75,;9.54,-45.74,;10.3,-44.41,;11.84,-44.41,;12.74,-45.66,;14.21,-45.19,;15.54,-45.96,;16.88,-45.18,;18.21,-45.95,;19.54,-45.18,;16.87,-43.63,;18.2,-42.86,;15.54,-42.87,;14.21,-43.65,;12.74,-43.17,;15.54,-47.49,;14.21,-48.26,;12.87,-47.49,;14.2,-49.8,;15.54,-50.57,;15.54,-52.11,;16.88,-49.79,;16.87,-48.26,;18.2,-47.48,)|
Show InChI InChI=1S/C22H20F2N4O/c1-12-8-16(23)20(17(24)9-12)21-15(10-25)13(2)26-22-27-18(11-28(21)22)14-6-4-5-7-19(14)29-3/h4-9,11H,10,25H2,1-3H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50328789
PNG
((2-(2-methoxyphenyl)-7-methyl-5-phenylimidazo[1,2-...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccccc3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H20N4O/c1-14-17(12-22)20(15-8-4-3-5-9-15)25-13-18(24-21(25)23-14)16-10-6-7-11-19(16)26-2/h3-11,13H,12,22H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328797
PNG
((5-(4-chloro-3-(trifluoromethyl)phenyl)-2-(2-metho...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)c(c3)C(F)(F)F)c(CN)c(C)nc2n1
Show InChI InChI=1S/C22H18ClF3N4O/c1-12-15(10-27)20(13-7-8-17(23)16(9-13)22(24,25)26)30-11-18(29-21(30)28-12)14-5-3-4-6-19(14)31-2/h3-9,11H,10,27H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328793
PNG
((5-(3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylim...)
Show SMILES COc1ccccc1-c1cn2c(-c3cccc(F)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H19FN4O/c1-13-17(11-23)20(14-6-5-7-15(22)10-14)26-12-18(25-21(26)24-13)16-8-3-4-9-19(16)27-2/h3-10,12H,11,23H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328791
PNG
((5-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cccc1Cl |(26.4,-3.77,;27.16,-5.11,;26.39,-6.44,;24.85,-6.43,;24.08,-7.77,;24.86,-9.11,;26.39,-9.1,;27.16,-7.78,;28.69,-7.77,;29.6,-9.02,;31.06,-8.55,;32.39,-9.32,;33.73,-8.55,;35.07,-9.31,;36.4,-8.54,;33.73,-6.99,;35.06,-6.22,;32.39,-6.23,;31.06,-7.01,;29.6,-6.53,;32.4,-10.85,;33.73,-11.62,;35.06,-10.85,;33.73,-13.16,;32.39,-13.93,;31.06,-13.16,;31.06,-11.62,;29.73,-10.85,)|
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-14(10-24)20(19-15(22)7-5-8-16(19)23)27-11-17(26-21(27)25-12)13-6-3-4-9-18(13)28-2/h3-9,11H,10,24H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50328792
PNG
((5-(3,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)
Show SMILES COc1ccccc1-c1cn2c(-c3ccc(Cl)c(Cl)c3)c(CN)c(C)nc2n1
Show InChI InChI=1S/C21H18Cl2N4O/c1-12-15(10-24)20(13-7-8-16(22)17(23)9-13)27-11-18(26-21(27)25-12)14-5-3-4-6-19(14)28-2/h3-9,11H,10,24H2,1-2H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 15 mins by para-nitroaniline release assay

Bioorg Med Chem Lett 20: 6273-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.090
BindingDB Entry DOI: 10.7270/Q2J67H5R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%