Found 213 hits with Last Name = 'moulin' and Initial = 'f' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
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)) | 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)) | 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 8
(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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| 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 DPP8 (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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB
MMDB
Reactome pathway
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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 recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307
BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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)) | 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 8
(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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| 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 DPP8 (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 8
(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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| 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 DPP8 (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 8
(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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| 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 DPP8 (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)) | 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)) | 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)) | 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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PubMed
| 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 8
(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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| 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 DPP8 (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 8
(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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| 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 DPP8 (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 8
(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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| 1.70 | 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 DPP8 (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)) | 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 8
(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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| 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 DPP8 (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)) | 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 8
(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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| 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 DPP8 (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)) | 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)) | 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 8
(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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| 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 DPP8 (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)) | 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)) | 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)) | BDBM50442204
(CHEMBL2441833)Show SMILES Cc1[nH]c2cn(Cc3ccn(C)n3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(39.93,-15.91,;38.59,-16.68,;37.26,-15.92,;35.93,-16.69,;34.46,-16.22,;33.55,-17.47,;32.01,-17.48,;31.23,-16.15,;31.77,-14.72,;30.56,-13.76,;29.28,-14.6,;27.84,-14.06,;29.69,-16.09,;34.47,-18.72,;34,-20.19,;35.94,-18.24,;37.27,-19.01,;38.6,-18.23,;39.94,-19,;41.27,-18.23,;37.26,-20.55,;35.93,-21.31,;35.92,-22.84,;37.25,-23.62,;37.25,-25.16,;38.59,-22.85,;38.59,-21.31,;39.92,-20.54,)| Show InChI InChI=1S/C20H19Cl2N5O/c1-11-15(8-23)18(14-4-3-12(21)7-16(14)22)19-17(24-11)10-27(20(19)28)9-13-5-6-26(2)25-13/h3-7,10,24H,8-9,23H2,1-2H3 | PDB
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| 3.70 | 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 8
(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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| 3.80 | 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 DPP8 (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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50239606
(CHEMBL4080667)Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)| Show InChI InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13?,14?,16?,17?,20-,21? | PDB
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| 3.80 | 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 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after... |
J Med Chem 60: 4932-4948 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00211
BindingDB Entry DOI: 10.7270/Q2DV1N23 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(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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| 3.80 | 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 DPP8 (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 8
(Homo sapiens (Human)) | BDBM50442189
(CHEMBL2441848)Show SMILES CCN(CC)C(=O)[C@@H](C)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |r,wU:7.7,(15.06,-9.1,;16.59,-9.09,;17.36,-10.41,;16.6,-11.73,;17.37,-13.05,;18.89,-10.4,;19.66,-11.72,;19.64,-9.07,;18.87,-7.76,;21.18,-9.07,;22.09,-7.81,;23.56,-8.28,;24.89,-7.51,;26.23,-8.28,;27.56,-7.5,;26.23,-9.83,;27.57,-10.6,;28.9,-9.82,;24.9,-10.6,;24.89,-12.14,;23.56,-12.9,;23.55,-14.44,;24.89,-15.21,;24.88,-16.76,;26.23,-14.44,;26.22,-12.9,;27.56,-12.13,;23.57,-9.83,;22.1,-10.32,;21.63,-11.78,)| Show InChI InChI=1S/C22H26Cl2N4O2/c1-5-27(6-2)21(29)13(4)28-11-18-20(22(28)30)19(16(10-25)12(3)26-18)15-8-7-14(23)9-17(15)24/h7-9,11,13,26H,5-6,10,25H2,1-4H3/t13-/m1/s1 | PDB
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| 3.80 | 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 DPP8 (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 8
(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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| 3.90 | 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 DPP8 (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 8
(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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| 3.90 | 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 DPP8 (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 8
(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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| 3.90 | 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 DPP8 (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)) | BDBM50442202
(CHEMBL2441835)Show SMILES Cc1cc(Cn2cc3[nH]c(C)c(CN)c(-c4ccc(Cl)cc4Cl)c3c2=O)no1 |(63.64,-13.86,;63.57,-15.4,;64.78,-16.36,;64.24,-17.79,;65.02,-19.12,;66.56,-19.12,;67.46,-17.86,;68.94,-18.33,;70.27,-17.56,;71.6,-18.33,;72.93,-17.55,;71.61,-19.88,;72.94,-20.64,;74.28,-19.87,;70.27,-20.65,;70.27,-22.19,;68.94,-22.95,;68.93,-24.49,;70.26,-25.26,;70.26,-26.8,;71.6,-24.49,;71.6,-22.95,;72.93,-22.18,;68.95,-19.88,;67.48,-20.36,;67.01,-21.83,;62.7,-17.73,;62.29,-16.24,)| Show InChI InChI=1S/C20H18Cl2N4O2/c1-10-5-13(25-28-10)8-26-9-17-19(20(26)27)18(15(7-23)11(2)24-17)14-4-3-12(21)6-16(14)22/h3-6,9,24H,7-8,23H2,1-2H3 | PDB
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| 4.30 | 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 8
(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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| 4.30 | 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 DPP8 (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 8
(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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| 4.90 | 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 DPP8 (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 8
(Homo sapiens (Human)) | BDBM50442204
(CHEMBL2441833)Show SMILES Cc1[nH]c2cn(Cc3ccn(C)n3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(39.93,-15.91,;38.59,-16.68,;37.26,-15.92,;35.93,-16.69,;34.46,-16.22,;33.55,-17.47,;32.01,-17.48,;31.23,-16.15,;31.77,-14.72,;30.56,-13.76,;29.28,-14.6,;27.84,-14.06,;29.69,-16.09,;34.47,-18.72,;34,-20.19,;35.94,-18.24,;37.27,-19.01,;38.6,-18.23,;39.94,-19,;41.27,-18.23,;37.26,-20.55,;35.93,-21.31,;35.92,-22.84,;37.25,-23.62,;37.25,-25.16,;38.59,-22.85,;38.59,-21.31,;39.92,-20.54,)| Show InChI InChI=1S/C20H19Cl2N5O/c1-11-15(8-23)18(14-4-3-12(21)7-16(14)22)19-17(24-11)10-27(20(19)28)9-13-5-6-26(2)25-13/h3-7,10,24H,8-9,23H2,1-2H3 | PDB
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| 5.20 | 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 DPP8 (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 8
(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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| 5.20 | 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 DPP8 (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)) | BDBM50442188
(CHEMBL2441950)Show SMILES Cc1[nH]c2cn(CC(N)=O)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(13.7,-16.1,;12.37,-16.87,;11.03,-16.11,;9.7,-16.87,;8.23,-16.4,;7.32,-17.66,;5.78,-17.67,;5.01,-16.34,;5.77,-15,;3.47,-16.35,;8.24,-18.91,;7.77,-20.38,;9.71,-18.42,;11.04,-19.19,;12.37,-18.42,;13.71,-19.19,;15.04,-18.41,;11.04,-20.73,;9.7,-21.49,;9.7,-23.03,;11.03,-23.81,;11.02,-25.35,;12.37,-23.03,;12.37,-21.5,;13.7,-20.72,)| Show InChI InChI=1S/C17H16Cl2N4O2/c1-8-11(5-20)15(10-3-2-9(18)4-12(10)19)16-13(22-8)6-23(17(16)25)7-14(21)24/h2-4,6,22H,5,7,20H2,1H3,(H2,21,24) | PDB
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| 5.40 | 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 8
(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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| 5.40 | 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 DPP8 (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 8
(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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| 5.40 | 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 DPP8 (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 8
(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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| 5.5 | 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 DPP8 (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 8
(Homo sapiens (Human)) | BDBM50442202
(CHEMBL2441835)Show SMILES Cc1cc(Cn2cc3[nH]c(C)c(CN)c(-c4ccc(Cl)cc4Cl)c3c2=O)no1 |(63.64,-13.86,;63.57,-15.4,;64.78,-16.36,;64.24,-17.79,;65.02,-19.12,;66.56,-19.12,;67.46,-17.86,;68.94,-18.33,;70.27,-17.56,;71.6,-18.33,;72.93,-17.55,;71.61,-19.88,;72.94,-20.64,;74.28,-19.87,;70.27,-20.65,;70.27,-22.19,;68.94,-22.95,;68.93,-24.49,;70.26,-25.26,;70.26,-26.8,;71.6,-24.49,;71.6,-22.95,;72.93,-22.18,;68.95,-19.88,;67.48,-20.36,;67.01,-21.83,;62.7,-17.73,;62.29,-16.24,)| Show InChI InChI=1S/C20H18Cl2N4O2/c1-10-5-13(25-28-10)8-26-9-17-19(20(26)27)18(15(7-23)11(2)24-17)14-4-3-12(21)6-16(14)22/h3-6,9,24H,7-8,23H2,1-2H3 | PDB
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| 6 | 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 DPP8 (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 8
(Homo sapiens (Human)) | BDBM50442205
(CHEMBL2441832)Show SMILES Cc1[nH]c2cn(Cc3ccccc3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(24.08,-13.06,;22.75,-13.84,;21.42,-13.07,;20.09,-13.84,;18.61,-13.37,;17.71,-14.63,;16.17,-14.64,;15.39,-13.31,;16.16,-11.97,;15.38,-10.64,;13.84,-10.65,;13.08,-12,;13.86,-13.32,;18.62,-15.88,;18.16,-17.34,;20.1,-15.39,;21.42,-16.16,;22.76,-15.39,;24.09,-16.15,;25.42,-15.38,;21.42,-17.7,;20.08,-18.46,;20.08,-20,;21.41,-20.77,;21.41,-22.31,;22.75,-20,;22.75,-18.46,;24.08,-17.69,)| Show InChI InChI=1S/C22H19Cl2N3O/c1-13-17(10-25)20(16-8-7-15(23)9-18(16)24)21-19(26-13)12-27(22(21)28)11-14-5-3-2-4-6-14/h2-9,12,26H,10-11,25H2,1H3 | PDB
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| 6.40 | 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 DPP8 (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 | |
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