Found 195 hits of ki for UniProtKB: Q86TI2 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324512
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.93,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-6-5-14(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-7-15-4-2-3-8-26-15/h2-6,8,10,12H,7,9,11,25H2,1H3,(H,27,31) | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324510
(1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)Show SMILES Cc1cccc(CNCC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-4.59,-8.35,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,;-1.62,-5.59,;-.08,-5.54,;.65,-4.18,;2.19,-4.14,;2.92,-2.78,;2.11,-1.48,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;9.45,-1.81,;10.76,-1,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;-2.34,-6.93,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-13-4-3-5-16(28-13)10-27-11-21(32)20-12-31-22(17-7-6-15(24)8-19(17)25)18(9-26)14(2)29-23(31)30-20/h3-8,12,27H,9-11,26H2,1-2H3 | PDB
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324511
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1cccnc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.94,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.32,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-5-4-15(23)9-18(16)24)30-12-19(29-22(30)28-13)21(31)27-8-6-14-3-2-7-26-11-14/h2-5,7,9,11-12H,6,8,10,25H2,1H3,(H,27,31) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442192
(CHEMBL2441845)Show SMILES Cc1[nH]c2cn(CCC(O)=O)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(11.05,-4.3,;9.72,-5.08,;8.38,-4.32,;7.05,-5.08,;5.58,-4.61,;4.67,-5.87,;3.13,-5.88,;2.36,-4.55,;3.12,-3.21,;2.34,-1.88,;4.66,-3.2,;5.59,-7.12,;5.12,-8.58,;7.06,-6.63,;8.39,-7.4,;9.72,-6.63,;11.06,-7.4,;12.39,-6.62,;8.38,-8.94,;7.05,-9.7,;7.04,-11.24,;8.37,-12.01,;8.37,-13.55,;9.71,-11.24,;9.71,-9.71,;11.05,-8.93,)| Show InChI InChI=1S/C18H17Cl2N3O3/c1-9-12(7-21)16(11-3-2-10(19)6-13(11)20)17-14(22-9)8-23(18(17)26)5-4-15(24)25/h2-3,6,8,22H,4-5,7,21H2,1H3,(H,24,25) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50050511
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1 | PDB
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| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells |
J Med Chem 51: 6005-13 (2008)
Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442198
(CHEMBL2441839)Show SMILES Cc1[nH]c2cn(C[C@@H]3CCCO3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |r,wD:7.6,(24.71,-38.82,;23.38,-39.6,;22.05,-38.83,;20.72,-39.6,;19.24,-39.13,;18.34,-40.39,;16.8,-40.39,;16.02,-39.06,;14.47,-39,;14.06,-37.52,;15.35,-36.67,;16.55,-37.63,;19.25,-41.63,;18.79,-43.1,;20.72,-41.15,;22.05,-41.92,;23.39,-41.15,;24.72,-41.91,;26.05,-41.14,;22.05,-43.46,;20.71,-44.22,;20.71,-45.76,;22.04,-46.53,;22.04,-48.07,;23.38,-45.76,;23.38,-44.22,;24.71,-43.45,)| Show InChI InChI=1S/C20H21Cl2N3O2/c1-11-15(8-23)18(14-5-4-12(21)7-16(14)22)19-17(24-11)10-25(20(19)26)9-13-3-2-6-27-13/h4-5,7,10,13,24H,2-3,6,8-9,23H2,1H3/t13-/m0/s1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50050525
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1 | PDB
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| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells |
J Med Chem 51: 6005-13 (2008)
Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324504
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)Show SMILES CN(CCc1ccccn1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(7.39,-9.52,;6.58,-8.21,;5.04,-8.26,;4.23,-6.94,;2.69,-6.99,;1.89,-5.67,;.35,-5.72,;-.38,-7.08,;.44,-8.4,;1.97,-8.34,;7.3,-6.85,;6.49,-5.54,;8.85,-6.8,;9.79,-8.02,;11.23,-7.5,;12.59,-8.23,;13.89,-7.42,;15.25,-8.15,;16.56,-7.34,;13.85,-5.88,;15.15,-5.06,;12.48,-5.16,;11.19,-5.97,;9.71,-5.54,;12.55,-9.76,;11.2,-10.5,;11.17,-12.04,;12.49,-12.84,;12.58,-14.44,;13.85,-12.09,;13.87,-10.56,;15.21,-9.81,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-14-18(12-26)21(17-7-6-15(24)11-19(17)25)31-13-20(29-23(31)28-14)22(32)30(2)10-8-16-5-3-4-9-27-16/h3-7,9,11,13H,8,10,12,26H2,1-2H3 | PDB
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| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324500
(1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)Show SMILES CN(Cc1cccnc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(4.9,-13.73,;4.13,-12.4,;2.59,-12.4,;1.82,-13.73,;.28,-13.72,;-.49,-15.05,;.28,-16.39,;1.83,-16.4,;2.59,-15.06,;4.91,-11.07,;4.14,-9.74,;6.44,-11.06,;7.34,-12.29,;8.8,-11.82,;10.13,-12.59,;11.47,-11.82,;12.8,-12.6,;14.14,-11.85,;11.46,-10.28,;12.8,-9.51,;10.13,-9.51,;8.8,-10.28,;7.34,-9.8,;10.13,-14.13,;8.79,-14.9,;8.8,-16.44,;10.13,-17.21,;10.14,-18.75,;11.45,-16.44,;11.45,-14.9,;12.8,-14.11,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(9-25)20(16-6-5-15(23)8-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-4-3-7-26-10-14/h3-8,10,12H,9,11,25H2,1-2H3 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50050513
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1 | PDB
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| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells |
J Med Chem 51: 6005-13 (2008)
Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442183
(CHEMBL2441955)Show SMILES Cc1[nH]c2cn(CC(=O)N3CCCCC3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(49.34,-35.7,;48.01,-36.47,;46.68,-35.71,;45.35,-36.47,;43.87,-36,;42.97,-37.26,;41.43,-37.27,;40.65,-35.94,;39.11,-35.95,;41.42,-34.6,;42.95,-34.6,;43.71,-33.27,;42.94,-31.94,;41.4,-31.95,;40.63,-33.28,;43.89,-38.51,;43.42,-39.98,;45.36,-38.02,;46.69,-38.79,;48.02,-38.02,;49.35,-38.79,;50.69,-38.01,;46.68,-40.33,;45.35,-41.09,;45.34,-42.63,;46.67,-43.41,;46.67,-44.95,;48.01,-42.63,;48.01,-41.1,;49.34,-40.32,)| Show InChI InChI=1S/C22H24Cl2N4O2/c1-13-16(10-25)20(15-6-5-14(23)9-17(15)24)21-18(26-13)11-28(22(21)30)12-19(29)27-7-3-2-4-8-27/h5-6,9,11,26H,2-4,7-8,10,12,25H2,1H3 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324524
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)S(C)(=O)=O |(11.6,.54,;10.29,-.27,;8.93,.44,;7.63,-.37,;6.16,.07,;5.29,-1.2,;6.24,-2.42,;7.68,-1.9,;9.03,-2.63,;10.34,-1.82,;11.7,-2.54,;13.01,-1.73,;9,-4.16,;7.65,-4.9,;7.62,-6.44,;8.94,-7.24,;8.91,-8.78,;10.29,-6.48,;10.32,-4.95,;11.66,-4.21,;3.75,-1.24,;2.94,.06,;3.02,-2.6,;3.82,-3.91,;3.09,-5.26,;1.55,-5.3,;.75,-3.99,;1.48,-2.64,;.82,-6.65,;-.72,-6.7,;.4,-8.14,;2.15,-7.42,)| Show InChI InChI=1S/C20H22Cl2N6O3S/c1-12-15(10-23)18(14-4-3-13(21)9-16(14)22)28-11-17(25-20(28)24-12)19(29)26-5-7-27(8-6-26)32(2,30)31/h3-4,9,11H,5-8,10,23H2,1-2H3 | PDB
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| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324505
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)Show SMILES CN(Cc1ccncc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(4.39,-7.36,;3.62,-6.02,;2.08,-6.02,;1.31,-7.35,;2.08,-8.69,;1.31,-10.03,;-.23,-10.03,;-1,-8.68,;-.23,-7.35,;4.4,-4.69,;3.63,-3.36,;5.94,-4.68,;6.84,-5.92,;8.3,-5.44,;9.63,-6.21,;10.97,-5.44,;12.31,-6.23,;12.3,-7.77,;10.97,-3.9,;12.31,-3.13,;9.64,-3.13,;8.31,-3.9,;6.84,-3.42,;9.63,-7.75,;8.3,-8.53,;8.3,-10.07,;9.63,-10.84,;9.65,-12.38,;10.96,-10.07,;10.96,-8.52,;12.3,-7.74,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-4-3-15(23)9-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-5-7-26-8-6-14/h3-9,12H,10-11,25H2,1-2H3 | PDB
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| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442184
(CHEMBL2441954)Show SMILES Cc1[nH]c2cn(CC(=O)N3CCCC3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(31.58,-31.64,;30.25,-32.42,;28.91,-31.65,;27.58,-32.42,;26.11,-31.95,;25.21,-33.21,;23.67,-33.22,;22.89,-31.89,;21.35,-31.89,;23.65,-30.55,;25.19,-30.58,;25.7,-29.12,;24.47,-28.19,;23.21,-29.07,;26.12,-34.46,;25.65,-35.92,;27.59,-33.97,;28.92,-34.74,;30.25,-33.97,;31.59,-34.74,;32.92,-33.96,;28.92,-36.28,;27.58,-37.04,;27.58,-38.58,;28.91,-39.35,;28.91,-40.89,;30.25,-38.58,;30.25,-37.04,;31.58,-36.27,)| Show InChI InChI=1S/C21H22Cl2N4O2/c1-12-15(9-24)19(14-5-4-13(22)8-16(14)23)20-17(25-12)10-27(21(20)29)11-18(28)26-6-2-3-7-26/h4-5,8,10,25H,2-3,6-7,9,11,24H2,1H3 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324494
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1,3-dime...)Show SMILES Cc1cc(NC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n(C)n1 |(-2.95,-5.54,;-1.73,-4.59,;-.25,-5.02,;.61,-3.75,;2.15,-3.7,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.92,;10.83,-3.64,;12.14,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.26,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.45,-6.05,;10.79,-5.3,;-.33,-2.53,;.1,-1.06,;-1.78,-3.05,)| Show InChI InChI=1S/C20H19Cl2N7O/c1-10-6-17(28(3)27-10)26-19(30)16-9-29-18(13-5-4-12(21)7-15(13)22)14(8-23)11(2)24-20(29)25-16/h4-7,9H,8,23H2,1-3H3,(H,26,30) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442193
(CHEMBL2441844)Show SMILES Cc1[nH]c2cn(CC(O)=O)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(23.65,-50.78,;22.32,-51.55,;20.98,-50.79,;19.65,-51.56,;18.18,-51.08,;17.27,-52.34,;15.73,-52.35,;14.96,-51.02,;15.72,-49.68,;13.42,-51.03,;18.19,-53.59,;17.72,-55.06,;19.66,-53.1,;20.99,-53.87,;22.32,-53.1,;23.66,-53.87,;24.99,-53.09,;20.98,-55.41,;19.65,-56.17,;19.64,-57.71,;20.97,-58.49,;20.97,-60.03,;22.31,-57.71,;22.31,-56.18,;23.65,-55.41,)| Show InChI InChI=1S/C17H15Cl2N3O3/c1-8-11(5-20)15(10-3-2-9(18)4-12(10)19)16-13(21-8)6-22(17(16)25)7-14(23)24/h2-4,6,21H,5,7,20H2,1H3,(H,23,24) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324501
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1-ethyl-...)Show SMILES CCn1nccc1NC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-3.58,-1.22,;-2.53,-2.33,;-2.95,-3.81,;-4.4,-4.33,;-4.36,-5.87,;-2.88,-6.31,;-2.01,-5.04,;-.47,-4.99,;.26,-3.63,;-.55,-2.32,;1.8,-3.58,;2.74,-4.81,;4.19,-4.28,;5.54,-5.01,;6.85,-4.21,;8.21,-4.93,;9.52,-4.12,;6.8,-2.66,;8.11,-1.84,;5.44,-1.94,;4.14,-2.75,;2.67,-2.32,;5.51,-6.55,;4.16,-7.29,;4.13,-8.83,;5.45,-9.63,;5.42,-11.17,;6.8,-8.87,;6.83,-7.34,;8.17,-6.59,)| Show InChI InChI=1S/C20H19Cl2N7O/c1-3-29-17(6-7-24-29)27-19(30)16-10-28-18(13-5-4-12(21)8-15(13)22)14(9-23)11(2)25-20(28)26-16/h4-8,10H,3,9,23H2,1-2H3,(H,27,30) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324497
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1COCC1(C)C |(10.72,-.55,;9.42,-1.37,;8.06,-.65,;6.76,-1.46,;5.28,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.46,-2.91,;10.82,-3.64,;12.13,-2.83,;8.13,-5.25,;6.78,-5.99,;6.74,-7.53,;8.07,-8.33,;8.03,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,;2.88,-2.34,;2.07,-1.03,;2.15,-3.7,;2.66,-5.14,;1.44,-6.08,;.17,-5.2,;.61,-3.72,;-.99,-3.83,;-.16,-2.39,)| Show InChI InChI=1S/C20H21Cl2N5O2/c1-11-14(7-23)17(13-5-4-12(21)6-15(13)22)26-8-16(25-19(26)24-11)18(28)27-10-29-9-20(27,2)3/h4-6,8H,7,9-10,23H2,1-3H3 | PDB
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| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324516
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 |(25.5,2.3,;24.2,1.48,;22.84,2.2,;21.54,1.39,;20.06,1.83,;19.2,.56,;20.14,-.66,;21.59,-.14,;22.94,-.87,;24.24,-.06,;25.61,-.79,;26.91,.02,;22.91,-2.4,;21.56,-3.14,;21.52,-4.68,;22.85,-5.48,;22.81,-7.02,;24.2,-4.73,;24.22,-3.19,;25.57,-2.45,;17.65,.51,;16.84,1.82,;16.93,-.85,;17.6,-2.22,;16.48,-3.29,;15.13,-2.56,;15.4,-1.04,)| Show InChI InChI=1S/C19H19Cl2N5O/c1-11-14(9-22)17(13-5-4-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-6-2-3-7-25/h4-5,8,10H,2-3,6-7,9,22H2,1H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442206
(CHEMBL2441831)Show SMILES Cc1[nH]c2cn(-c3ccn(C)n3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(11.24,-14.08,;9.91,-14.86,;8.57,-14.09,;7.25,-14.86,;5.77,-14.39,;4.87,-15.65,;3.33,-15.65,;2.41,-14.41,;.95,-14.9,;.96,-16.44,;-.29,-17.35,;2.42,-16.91,;5.78,-16.89,;5.31,-18.36,;7.25,-16.41,;8.58,-17.18,;9.91,-16.41,;11.25,-17.17,;12.58,-16.4,;8.58,-18.72,;7.24,-19.48,;7.24,-21.02,;8.57,-21.79,;8.57,-23.33,;9.91,-21.02,;9.91,-19.48,;11.24,-18.71,)| Show InChI InChI=1S/C19H17Cl2N5O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)18-15(23-10)9-26(19(18)27)16-5-6-25(2)24-16/h3-7,9,23H,8,22H2,1-2H3 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442181
(CHEMBL2441829)Show SMILES COc1ccc(cc1)-n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(14.54,-2.86,;15.32,-4.18,;16.86,-4.18,;17.62,-2.84,;19.16,-2.83,;19.93,-4.16,;19.18,-5.5,;17.64,-5.51,;21.47,-4.15,;22.38,-2.89,;23.85,-3.36,;25.18,-2.6,;26.52,-3.36,;27.85,-2.59,;26.52,-4.91,;27.86,-5.68,;29.19,-4.9,;25.19,-5.68,;25.18,-7.22,;23.85,-7.98,;23.84,-9.52,;25.17,-10.3,;25.17,-11.84,;26.51,-9.52,;26.51,-7.99,;27.85,-7.22,;23.86,-4.91,;22.39,-5.4,;21.92,-6.87,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-18(16)24)21-19(26-12)11-27(22(21)28)14-4-6-15(29-2)7-5-14/h3-9,11,26H,10,25H2,1-2H3 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442191
(CHEMBL2441846)Show SMILES CCN(CC)C(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(18.85,-1.37,;18.08,-2.7,;16.54,-2.71,;15.77,-1.38,;14.23,-1.39,;15.78,-4.05,;14.24,-4.06,;16.56,-5.38,;18.1,-5.37,;19,-4.11,;20.48,-4.59,;21.8,-3.82,;23.14,-4.58,;24.47,-3.81,;23.14,-6.13,;24.48,-6.9,;25.81,-6.13,;21.81,-6.9,;21.81,-8.44,;20.47,-9.2,;20.47,-10.74,;21.8,-11.52,;21.8,-13.06,;23.14,-10.74,;23.14,-9.21,;24.47,-8.44,;20.48,-6.13,;19.01,-6.62,;18.54,-8.09,)| Show InChI InChI=1S/C21H24Cl2N4O2/c1-4-26(5-2)18(28)11-27-10-17-20(21(27)29)19(15(9-24)12(3)25-17)14-7-6-13(22)8-16(14)23/h6-8,10,25H,4-5,9,11,24H2,1-3H3 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324522
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES COC[C@H]1CCCN1C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |r,wD:3.2,(-4.08,-5.1,;-3.17,-6.34,;-3.8,-7.75,;-2.89,-8.99,;-3.37,-10.45,;-2.12,-11.36,;-.88,-10.45,;-1.34,-8.99,;-.62,-7.63,;-1.43,-6.32,;.92,-7.58,;1.86,-8.8,;3.31,-8.28,;4.66,-9.01,;5.97,-8.21,;7.33,-8.93,;8.63,-8.12,;5.92,-6.66,;7.23,-5.84,;4.56,-5.94,;3.26,-6.75,;1.79,-6.32,;4.63,-10.54,;3.28,-11.28,;3.25,-12.82,;4.57,-13.62,;4.54,-15.16,;5.92,-12.87,;5.94,-11.34,;7.29,-10.59,)| Show InChI InChI=1S/C21H23Cl2N5O2/c1-12-16(9-24)19(15-6-5-13(22)8-17(15)23)28-10-18(26-21(28)25-12)20(29)27-7-3-4-14(27)11-30-2/h5-6,8,10,14H,3-4,7,9,11,24H2,1-2H3/t14-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324515
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,N-diethyl...)Show SMILES CCN(CC)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-7.06,-1.08,;-6.33,.27,;-4.79,.32,;-3.98,-.99,;-4.71,-2.34,;-4.07,1.68,;-4.88,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;2.48,2.65,;3.79,3.47,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;1.19,-1.24,;-.16,-1.98,;-.19,-3.51,;1.13,-4.32,;1.1,-5.86,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,)| Show InChI InChI=1S/C19H21Cl2N5O/c1-4-25(5-2)18(27)16-10-26-17(13-7-6-12(20)8-15(13)21)14(9-22)11(3)23-19(26)24-16/h6-8,10H,4-5,9,22H2,1-3H3 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324518
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NC1CCOCC1 |(3.78,3.47,;2.48,2.65,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;1.19,-1.24,;-.16,-1.97,;-.19,-3.51,;1.13,-4.31,;1.1,-5.85,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,;-4.06,1.68,;-4.87,2.98,;-4.79,.32,;-6.33,.27,;-7.07,-1.1,;-8.62,-1.13,;-9.43,.18,;-8.7,1.54,;-7.16,1.59,)| Show InChI InChI=1S/C20H21Cl2N5O2/c1-11-15(9-23)18(14-3-2-12(21)8-16(14)22)27-10-17(26-20(27)24-11)19(28)25-13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9,23H2,1H3,(H,25,28) | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442185
(CHEMBL2441953)Show SMILES CCCN(C)C(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(5.49,-27.06,;6.26,-28.39,;5.5,-29.73,;6.28,-31.06,;7.82,-31.05,;5.51,-32.4,;3.97,-32.41,;6.29,-33.73,;7.83,-33.72,;8.73,-32.46,;10.21,-32.94,;11.54,-32.17,;12.87,-32.93,;14.2,-32.16,;12.88,-34.48,;14.21,-35.25,;15.55,-34.48,;11.55,-35.25,;11.54,-36.79,;10.21,-37.55,;10.2,-39.09,;11.53,-39.87,;11.53,-41.41,;12.87,-39.09,;12.87,-37.56,;14.2,-36.79,;10.22,-34.48,;8.75,-34.97,;8.28,-36.44,)| Show InChI InChI=1S/C21H24Cl2N4O2/c1-4-7-26(3)18(28)11-27-10-17-20(21(27)29)19(15(9-24)12(2)25-17)14-6-5-13(22)8-16(14)23/h5-6,8,10,25H,4,7,9,11,24H2,1-3H3 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324508
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1nc(cs1)-c1cccnc1 |(10.76,-1,;9.46,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.49,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.23,-5.46,;-1.7,-5.02,;-1.75,-3.48,;-.3,-2.97,;-2.84,-6.06,;-2.83,-7.6,;-4.15,-8.37,;-5.5,-7.61,;-5.51,-6.06,;-4.17,-5.29,)| Show InChI InChI=1S/C23H17Cl2N7OS/c1-12-16(8-26)20(15-5-4-14(24)7-17(15)25)32-10-18(29-22(32)28-12)21(33)31-23-30-19(11-34-23)13-3-2-6-27-9-13/h2-7,9-11H,8,26H2,1H3,(H,30,31,33) | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442201
(CHEMBL2441836)Show SMILES COCCn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(8.78,-4.52,;9.56,-5.85,;11.1,-5.84,;11.87,-7.17,;13.41,-7.16,;14.32,-5.91,;15.79,-6.38,;17.12,-5.61,;18.45,-6.37,;19.79,-5.6,;18.46,-7.92,;19.8,-8.69,;21.13,-7.92,;17.13,-8.7,;17.12,-10.24,;15.79,-11,;15.78,-12.53,;17.11,-13.31,;17.11,-14.85,;18.45,-12.54,;18.45,-11,;19.79,-10.23,;15.8,-7.93,;14.33,-8.41,;13.86,-9.88,)| Show InChI InChI=1S/C18H19Cl2N3O2/c1-10-13(8-21)16(12-4-3-11(19)7-14(12)20)17-15(22-10)9-23(18(17)24)5-6-25-2/h3-4,7,9,22H,5-6,8,21H2,1-2H3 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442201
(CHEMBL2441836)Show SMILES COCCn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(8.78,-4.52,;9.56,-5.85,;11.1,-5.84,;11.87,-7.17,;13.41,-7.16,;14.32,-5.91,;15.79,-6.38,;17.12,-5.61,;18.45,-6.37,;19.79,-5.6,;18.46,-7.92,;19.8,-8.69,;21.13,-7.92,;17.13,-8.7,;17.12,-10.24,;15.79,-11,;15.78,-12.53,;17.11,-13.31,;17.11,-14.85,;18.45,-12.54,;18.45,-11,;19.79,-10.23,;15.8,-7.93,;14.33,-8.41,;13.86,-9.88,)| Show InChI InChI=1S/C18H19Cl2N3O2/c1-10-13(8-21)16(12-4-3-11(19)7-14(12)20)17-15(22-10)9-23(18(17)24)5-6-25-2/h3-4,7,9,22H,5-6,8,21H2,1-2H3 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324521
(4-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)C1 |(7.23,-5.85,;5.92,-6.66,;4.56,-5.95,;3.26,-6.75,;1.79,-6.32,;.92,-7.59,;1.87,-8.81,;3.31,-8.29,;4.66,-9.02,;5.97,-8.21,;7.33,-8.93,;8.64,-8.12,;4.63,-10.55,;3.28,-11.29,;3.25,-12.83,;4.57,-13.63,;4.54,-15.17,;5.92,-12.87,;5.95,-11.34,;7.29,-10.6,;-.62,-7.63,;-1.43,-6.33,;-1.34,-8.99,;-.54,-10.31,;-1.27,-11.66,;-2.81,-11.71,;-3.61,-10.39,;-5.15,-10.43,;-2.88,-9.04,)| Show InChI InChI=1S/C19H18Cl2N6O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-8-15(25-19(27)24-10)18(29)26-5-4-23-16(28)9-26/h2-3,6,8H,4-5,7,9,22H2,1H3,(H,23,28) | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324525
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)Show SMILES CN(CCS(C)(=O)=O)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(2.96,-5.01,;2.15,-3.7,;.61,-3.75,;-.19,-2.43,;-1.73,-2.48,;-2.54,-1.17,;-3.23,-2.88,;-1.74,-4.02,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.91,;10.83,-3.64,;12.13,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.25,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,)| Show InChI InChI=1S/C19H21Cl2N5O3S/c1-11-14(9-22)17(13-5-4-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25(2)6-7-30(3,28)29/h4-5,8,10H,6-7,9,22H2,1-3H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324513
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccncc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.42,-4.28,;-3.96,-4.32,;-4.69,-5.68,;-3.87,-6.99,;-2.34,-6.94,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-3-2-15(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-6-14-4-7-26-8-5-14/h2-5,7-8,10,12H,6,9,11,25H2,1H3,(H,27,31) | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324523
(CHEMBL1215018 | N-((3S)-1-(6-(aminomethyl)-5-(2,4-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C1)NS(C)(=O)=O |r,wD:25.30,(7.23,-5.85,;5.92,-6.66,;4.56,-5.95,;3.26,-6.75,;1.79,-6.32,;.92,-7.59,;1.87,-8.81,;3.31,-8.29,;4.66,-9.02,;5.97,-8.21,;7.33,-8.93,;8.64,-8.12,;4.63,-10.55,;3.28,-11.29,;3.25,-12.83,;4.57,-13.63,;4.54,-15.17,;5.92,-12.87,;5.95,-11.34,;7.29,-10.6,;-.62,-7.63,;-1.43,-6.33,;-1.34,-8.99,;-.88,-10.46,;-2.12,-11.36,;-3.37,-10.46,;-2.89,-8.99,;-4.91,-10.48,;-5.99,-9.37,;-7.4,-10.02,;-6.68,-7.99,;-4.84,-8.35,)| Show InChI InChI=1S/C20H22Cl2N6O3S/c1-11-15(8-23)18(14-4-3-12(21)7-16(14)22)28-10-17(25-20(28)24-11)19(29)27-6-5-13(9-27)26-32(2,30)31/h3-4,7,10,13,26H,5-6,8-9,23H2,1-2H3/t13-/m0/s1 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324517
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 |(3.79,3.47,;2.48,2.65,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;1.19,-1.24,;-.16,-1.97,;-.19,-3.51,;1.13,-4.31,;1.1,-5.85,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,;-4.07,1.68,;-4.87,2.99,;-4.79,.32,;-3.99,-1,;-4.73,-2.35,;-6.27,-2.39,;-7.07,-1.08,;-6.34,.27,)| Show InChI InChI=1S/C19H19Cl2N5O2/c1-11-14(9-22)17(13-3-2-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-4-6-28-7-5-25/h2-3,8,10H,4-7,9,22H2,1H3 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442200
(CHEMBL2441837)Show SMILES COC[C@H](C)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |r,wU:3.3,(49.23,-29.16,;50.01,-30.49,;51.55,-30.48,;52.33,-31.81,;51.56,-33.15,;53.87,-31.8,;54.77,-30.54,;56.25,-31.01,;57.57,-30.25,;58.91,-31.01,;60.24,-30.24,;58.91,-32.56,;60.25,-33.33,;61.58,-32.55,;57.58,-33.33,;57.58,-34.87,;56.24,-35.63,;56.24,-37.17,;57.57,-37.95,;57.57,-39.49,;58.91,-37.17,;58.91,-35.64,;60.24,-34.86,;56.25,-32.56,;54.78,-33.05,;54.31,-34.52,)| Show InChI InChI=1S/C19H21Cl2N3O2/c1-10(9-26-3)24-8-16-18(19(24)25)17(14(7-22)11(2)23-16)13-5-4-12(20)6-15(13)21/h4-6,8,10,23H,7,9,22H2,1-3H3/t10-/m0/s1 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442180
(CHEMBL2441830)Show SMILES COc1ccccc1-n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(35.12,-2,;35.89,-3.33,;35.13,-4.67,;33.59,-4.67,;32.82,-6.01,;33.61,-7.34,;35.15,-7.33,;35.9,-5.99,;37.44,-5.99,;38.34,-4.73,;39.82,-5.2,;41.15,-4.43,;42.48,-5.2,;43.81,-4.42,;42.49,-6.75,;43.82,-7.51,;45.16,-6.74,;41.16,-7.52,;41.15,-9.06,;39.82,-9.82,;39.81,-11.36,;41.14,-12.13,;41.14,-13.67,;42.48,-11.36,;42.48,-9.82,;43.81,-9.05,;39.83,-6.75,;38.36,-7.23,;37.89,-8.7,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-15(10-25)20(14-8-7-13(23)9-16(14)24)21-17(26-12)11-27(22(21)28)18-5-3-4-6-19(18)29-2/h3-9,11,26H,10,25H2,1-2H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442180
(CHEMBL2441830)Show SMILES COc1ccccc1-n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(35.12,-2,;35.89,-3.33,;35.13,-4.67,;33.59,-4.67,;32.82,-6.01,;33.61,-7.34,;35.15,-7.33,;35.9,-5.99,;37.44,-5.99,;38.34,-4.73,;39.82,-5.2,;41.15,-4.43,;42.48,-5.2,;43.81,-4.42,;42.49,-6.75,;43.82,-7.51,;45.16,-6.74,;41.16,-7.52,;41.15,-9.06,;39.82,-9.82,;39.81,-11.36,;41.14,-12.13,;41.14,-13.67,;42.48,-11.36,;42.48,-9.82,;43.81,-9.05,;39.83,-6.75,;38.36,-7.23,;37.89,-8.7,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-15(10-25)20(14-8-7-13(23)9-16(14)24)21-17(26-12)11-27(22(21)28)18-5-3-4-6-19(18)29-2/h3-9,11,26H,10,25H2,1-2H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324499
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(isoxazol...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccon1 |(8.64,-1.31,;7.33,-2.13,;5.97,-1.41,;4.67,-2.22,;3.2,-1.79,;2.33,-3.06,;3.27,-4.28,;4.72,-3.76,;6.07,-4.49,;7.38,-3.68,;8.74,-4.4,;10.04,-3.59,;6.04,-6.02,;4.69,-6.76,;4.66,-8.3,;5.98,-9.1,;6.01,-10.69,;7.33,-8.34,;7.36,-6.81,;8.7,-6.06,;.79,-3.1,;-.02,-1.8,;.06,-4.46,;-1.48,-4.51,;-2.34,-5.78,;-3.82,-5.34,;-3.86,-3.8,;-2.42,-3.29,)| Show InChI InChI=1S/C18H14Cl2N6O2/c1-9-12(7-21)16(11-3-2-10(19)6-13(11)20)26-8-14(23-18(26)22-9)17(27)24-15-4-5-28-25-15/h2-6,8H,7,21H2,1H3,(H,24,25,27) | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324496
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1ncco1 |(10.73,-.55,;9.42,-1.37,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;4.42,-2.29,;5.37,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.92,;10.83,-3.64,;12.14,-2.83,;8.13,-5.26,;6.78,-5.99,;6.75,-7.53,;8.07,-8.34,;8.04,-9.87,;9.42,-7.58,;9.45,-6.05,;10.79,-5.3,;2.88,-2.34,;2.07,-1.03,;2.15,-3.7,;.61,-3.75,;-.12,-5.1,;-1.66,-5.12,;-2.12,-6.59,;-.87,-7.48,;.37,-6.56,)| Show InChI InChI=1S/C19H16Cl2N6O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-9-15(26-19(27)25-10)18(28)24-8-16-23-4-5-29-16/h2-6,9H,7-8,22H2,1H3,(H,24,28) | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50253621
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1 | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells |
J Med Chem 51: 6005-13 (2008)
Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442190
(CHEMBL2441847)Show SMILES CCN(CC)C(=O)CCn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(29.61,-4.69,;30.38,-3.36,;31.92,-3.35,;32.69,-4.68,;34.23,-4.67,;32.68,-2.01,;31.9,-.68,;34.22,-2,;35,-3.33,;36.54,-3.33,;37.44,-2.07,;38.92,-2.54,;40.25,-1.77,;41.58,-2.54,;42.91,-1.76,;41.59,-4.09,;42.92,-4.85,;44.25,-4.08,;40.25,-4.86,;40.25,-6.4,;38.91,-7.16,;38.91,-8.7,;40.24,-9.47,;40.24,-11.01,;41.58,-8.7,;41.58,-7.16,;42.91,-6.39,;38.92,-4.09,;37.45,-4.57,;36.99,-6.04,)| Show InChI InChI=1S/C22H26Cl2N4O2/c1-4-27(5-2)19(29)8-9-28-12-18-21(22(28)30)20(16(11-25)13(3)26-18)15-7-6-14(23)10-17(15)24/h6-7,10,12,26H,4-5,8-9,11,25H2,1-3H3 | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442196
(CHEMBL2441841)Show SMILES Cc1[nH]c2cn(C[C@@H]3CCCN3S(=O)(=O)C3CC3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |r,wD:7.6,(24.52,-11.2,;23.19,-11.98,;21.85,-11.21,;20.52,-11.98,;19.04,-11.51,;18.14,-12.77,;16.6,-12.78,;15.84,-14.1,;16.25,-15.57,;14.97,-16.41,;13.78,-15.46,;14.32,-14.03,;13.48,-12.76,;12.11,-12.08,;12.2,-13.6,;14.16,-11.39,;15.51,-10.7,;14.23,-9.86,;19.05,-14.02,;18.59,-15.49,;20.53,-13.53,;21.86,-14.3,;23.19,-13.53,;24.53,-14.3,;25.86,-13.52,;21.85,-15.85,;20.52,-16.61,;20.51,-18.15,;21.84,-18.92,;21.84,-20.46,;23.19,-18.15,;23.18,-16.61,;24.52,-15.84,)| Show InChI InChI=1S/C23H26Cl2N4O3S/c1-13-18(10-26)21(17-7-4-14(24)9-19(17)25)22-20(27-13)12-28(23(22)30)11-15-3-2-8-29(15)33(31,32)16-5-6-16/h4,7,9,12,15-16,27H,2-3,5-6,8,10-11,26H2,1H3/t15-/m0/s1 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM11644
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1 | PDB
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Abbott Laboratories
| Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas... |
J Med Chem 49: 6416-20 (2006)
Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442199
(CHEMBL2441838)Show SMILES Cc1[nH]c2cn(C[C@H]3CCCO3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |r,wU:7.6,(10.54,-37.99,;9.21,-38.77,;7.87,-38.01,;6.55,-38.77,;5.07,-38.3,;4.17,-39.56,;2.63,-39.57,;1.85,-38.24,;.3,-38.17,;-.11,-36.69,;1.18,-35.84,;2.38,-36.8,;5.08,-40.81,;4.61,-42.27,;6.55,-40.32,;7.88,-41.09,;9.21,-40.32,;10.55,-41.09,;11.88,-40.31,;7.88,-42.63,;6.54,-43.39,;6.54,-44.93,;7.87,-45.7,;7.87,-47.24,;9.21,-44.93,;9.21,-43.4,;10.54,-42.62,)| Show InChI InChI=1S/C20H21Cl2N3O2/c1-11-15(8-23)18(14-5-4-12(21)7-16(14)22)19-17(24-11)10-25(20(19)26)9-13-3-2-6-27-13/h4-5,7,10,13,24H,2-3,6,8-9,23H2,1H3/t13-/m1/s1 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442186
(CHEMBL2441952)Show SMILES CN(C)C(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(43.67,-17.4,;42.13,-17.41,;41.36,-16.08,;41.37,-18.75,;39.83,-18.76,;42.15,-20.08,;43.69,-20.07,;44.59,-18.81,;46.06,-19.29,;47.39,-18.52,;48.73,-19.28,;50.06,-18.51,;48.73,-20.83,;50.07,-21.6,;51.4,-20.83,;47.4,-21.6,;47.4,-23.14,;46.06,-23.9,;46.06,-25.44,;47.39,-26.22,;47.39,-27.76,;48.73,-25.44,;48.73,-23.91,;50.06,-23.14,;46.07,-20.83,;44.6,-21.32,;44.13,-22.79,)| Show InChI InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-14(12)21)18-15(23-10)8-25(19(18)27)9-16(26)24(2)3/h4-6,8,23H,7,9,22H2,1-3H3 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442187
(CHEMBL2441951)Show SMILES CNC(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(25.56,-15,;24.02,-15.01,;23.25,-16.35,;21.71,-16.35,;24.03,-17.68,;25.57,-17.67,;26.48,-16.41,;27.95,-16.88,;29.28,-16.11,;30.61,-16.88,;31.95,-16.1,;30.62,-18.43,;31.96,-19.2,;33.29,-18.42,;29.29,-19.2,;29.28,-20.74,;27.95,-21.5,;27.94,-23.04,;29.27,-23.81,;29.27,-25.35,;30.61,-23.04,;30.61,-21.5,;31.94,-20.73,;27.96,-18.43,;26.49,-18.92,;26.02,-20.38,)| Show InChI InChI=1S/C18H18Cl2N4O2/c1-9-12(6-21)16(11-4-3-10(19)5-13(11)20)17-14(23-9)7-24(18(17)26)8-15(25)22-2/h3-5,7,23H,6,8,21H2,1-2H3,(H,22,25) | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324509
(CHEMBL1215373 | N-(2-(1H-imidazol-4-yl)ethyl)-6-(a...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1cnc[nH]1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.57,-4.37,;-4.01,-4.88,;-3.96,-6.42,;-2.49,-6.86,)| Show InChI InChI=1S/C20H19Cl2N7O/c1-11-15(7-23)18(14-3-2-12(21)6-16(14)22)29-9-17(28-20(29)27-11)19(30)25-5-4-13-8-24-10-26-13/h2-3,6,8-10H,4-5,7,23H2,1H3,(H,24,26)(H,25,30) | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50442182
(CHEMBL2441828)Show SMILES Cc1[nH]c2cn(-c3ccccc3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(9.71,-1.99,;8.38,-2.77,;7.04,-2.01,;5.71,-2.77,;4.24,-2.3,;3.34,-3.56,;1.8,-3.57,;1.02,-2.24,;-.53,-2.25,;-1.29,-3.58,;-.5,-4.92,;1.04,-4.9,;4.25,-4.81,;3.78,-6.27,;5.72,-4.32,;7.05,-5.09,;8.38,-4.32,;9.72,-5.09,;11.05,-4.31,;7.05,-6.63,;5.71,-7.39,;5.71,-8.93,;7.04,-9.7,;7.03,-11.24,;8.38,-8.93,;8.38,-7.4,;9.71,-6.62,)| Show InChI InChI=1S/C21H17Cl2N3O/c1-12-16(10-24)19(15-8-7-13(22)9-17(15)23)20-18(25-12)11-26(21(20)27)14-5-3-2-4-6-14/h2-9,11,25H,10,24H2,1H3 | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 (unknown origin) |
J Med Chem 56: 7343-57 (2013)
Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324502
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccnn1C |(7.53,-1.38,;6.23,-2.19,;4.87,-1.48,;3.57,-2.29,;2.09,-1.85,;1.23,-3.12,;2.17,-4.34,;3.61,-3.82,;4.97,-4.55,;6.27,-3.74,;7.63,-4.46,;8.94,-3.65,;4.94,-6.08,;3.58,-6.82,;3.55,-8.36,;4.87,-9.16,;4.84,-10.7,;6.23,-8.4,;6.25,-6.87,;7.6,-6.13,;-.32,-3.16,;-1.13,-1.86,;-1.04,-4.52,;-2.58,-4.57,;-3.45,-5.84,;-4.94,-5.4,;-4.98,-3.86,;-3.53,-3.34,;-3.1,-1.87,)| Show InChI InChI=1S/C19H17Cl2N7O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)28-9-15(25-19(28)24-10)18(29)26-16-5-6-23-27(16)2/h3-7,9H,8,22H2,1-2H3,(H,26,29) | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324495
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1csc(NC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-2.95,-5.53,;-1.73,-4.59,;-1.78,-3.05,;-.33,-2.53,;.61,-3.75,;2.15,-3.7,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.91,;10.83,-3.64,;12.13,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.25,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,;-.25,-5.02,)| Show InChI InChI=1S/C19H16Cl2N6OS/c1-9-8-29-19(23-9)26-17(28)15-7-27-16(12-4-3-11(20)5-14(12)21)13(6-22)10(2)24-18(27)25-15/h3-5,7-8H,6,22H2,1-2H3,(H,23,26,28) | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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