Found 149 hits Enz. Inhib. hit(s) with all data for entry = 50034080 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 4
(Homo sapiens (Human)) | BDBM50356582
(CHEMBL1910126)Show SMILES Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(14.01,-46.7,;12.68,-47.48,;11.34,-46.71,;10.02,-47.49,;8.55,-47.01,;8.08,-45.55,;7.65,-48.25,;6.11,-48.26,;5.34,-49.59,;6.12,-50.92,;3.8,-49.59,;3.04,-50.93,;1.5,-50.93,;.74,-52.26,;-.8,-52.27,;-1.58,-50.93,;-.81,-49.6,;.73,-49.59,;8.55,-49.5,;10.01,-49.03,;11.35,-49.8,;12.68,-49.03,;14.02,-49.79,;15.35,-49.02,;11.35,-51.33,;10.01,-52.1,;10.01,-53.64,;11.35,-54.41,;11.35,-55.95,;12.69,-53.64,;12.68,-52.1,;14.01,-51.33,)| Show InChI InChI=1S/C23H21Cl2N5O2/c1-13-17(8-26)21(16-5-4-15(24)7-19(16)25)18-11-30(23(32)22(18)29-13)12-20(31)28-10-14-3-2-6-27-9-14/h2-7,9H,8,10-12,26H2,1H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356591
(CHEMBL1910117)Show SMILES CN(C)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(23.14,-19.79,;23.91,-21.12,;23.14,-22.45,;25.45,-21.12,;26.22,-22.45,;26.22,-19.78,;27.75,-19.78,;28.65,-21.03,;30.12,-20.55,;30.12,-19.01,;31.45,-18.24,;32.78,-19,;34.12,-18.23,;32.79,-20.55,;34.13,-21.32,;35.46,-20.55,;31.45,-21.32,;31.46,-22.86,;30.12,-23.63,;30.12,-25.17,;31.45,-25.94,;31.45,-27.48,;32.79,-25.16,;32.79,-23.62,;34.12,-22.85,;28.66,-18.54,;28.18,-17.07,)| Show InChI InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-15(12)21)14-8-25(9-16(26)24(2)3)19(27)18(14)23-10/h4-6H,7-9,22H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356589
(CHEMBL1910119)Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCC(CC3)C(N)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(6.41,-30.16,;5.08,-30.93,;3.75,-30.17,;2.42,-30.95,;.95,-30.47,;.48,-29,;.05,-31.71,;-1.49,-31.71,;-2.25,-33.05,;-1.48,-34.38,;-3.79,-33.05,;-4.56,-31.72,;-6.09,-31.72,;-6.87,-33.05,;-6.1,-34.38,;-4.56,-34.39,;-8.41,-33.04,;-9.18,-31.71,;-9.18,-34.38,;.95,-32.96,;2.41,-32.48,;3.75,-33.26,;5.09,-32.48,;6.42,-33.25,;7.75,-32.48,;3.75,-34.79,;2.41,-35.56,;2.41,-37.1,;3.75,-37.87,;3.75,-39.41,;5.09,-37.09,;5.08,-35.56,;6.41,-34.78,)| Show InChI InChI=1S/C23H25Cl2N5O3/c1-12-16(9-26)20(15-3-2-14(24)8-18(15)25)17-10-30(23(33)21(17)28-12)11-19(31)29-6-4-13(5-7-29)22(27)32/h2-3,8,13H,4-7,9-11,26H2,1H3,(H2,27,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356585
(CHEMBL1910123)Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(22.17,-39.13,;20.84,-39.9,;19.5,-39.14,;18.17,-39.91,;16.71,-39.44,;16.24,-37.97,;15.8,-40.68,;14.27,-40.68,;13.5,-42.02,;14.28,-43.35,;11.96,-42.02,;11.05,-40.78,;9.59,-41.26,;9.59,-42.8,;11.06,-43.27,;16.71,-41.93,;18.17,-41.45,;19.51,-42.22,;20.84,-41.45,;22.18,-42.22,;23.51,-41.45,;19.51,-43.76,;18.17,-44.53,;18.17,-46.07,;19.51,-46.84,;19.51,-48.38,;20.84,-46.06,;20.84,-44.52,;22.17,-43.75,)| Show InChI InChI=1S/C21H22Cl2N4O2/c1-12-15(9-24)19(14-5-4-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-6-2-3-7-26/h4-5,8H,2-3,6-7,9-11,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356584
(CHEMBL1910124)Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCOCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(23.9,-37.72,;22.57,-38.49,;21.24,-37.73,;19.91,-38.51,;18.45,-38.03,;17.97,-36.56,;17.54,-39.27,;16.01,-39.27,;15.24,-40.61,;16.01,-41.94,;13.7,-40.61,;12.93,-39.28,;11.4,-39.28,;10.62,-40.61,;11.39,-41.94,;12.94,-41.95,;18.44,-40.52,;19.91,-40.04,;21.24,-40.82,;22.58,-40.04,;23.91,-40.81,;25.25,-40.04,;21.24,-42.35,;19.91,-43.12,;19.91,-44.66,;21.24,-45.43,;21.24,-46.97,;22.58,-44.65,;22.57,-43.12,;23.9,-42.34,)| Show InChI InChI=1S/C21H22Cl2N4O3/c1-12-15(9-24)19(14-3-2-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-4-6-30-7-5-26/h2-3,8H,4-7,9-11,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356592
(CHEMBL1910116)Show SMILES CNC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(7.18,-19.79,;7.95,-21.12,;9.49,-21.12,;10.26,-22.45,;10.26,-19.78,;11.79,-19.78,;12.69,-21.03,;14.16,-20.55,;14.16,-19.01,;15.49,-18.24,;16.82,-19,;18.16,-18.23,;16.83,-20.55,;18.17,-21.32,;19.5,-20.55,;15.49,-21.32,;15.5,-22.86,;14.16,-23.63,;14.16,-25.17,;15.49,-25.94,;15.49,-27.48,;16.83,-25.16,;16.83,-23.62,;18.16,-22.85,;12.7,-18.54,;12.22,-17.07,)| Show InChI InChI=1S/C18H18Cl2N4O2/c1-9-12(6-21)16(11-4-3-10(19)5-14(11)20)13-7-24(8-15(25)22-2)18(26)17(13)23-9/h3-5H,6-8,21H2,1-2H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356583
(CHEMBL1910125)Show SMILES Cc1nc2C(=O)N(CC(=O)Nc3ccnn3C)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(39.71,-37.55,;38.38,-38.32,;37.04,-37.56,;35.71,-38.33,;34.25,-37.86,;33.78,-36.39,;33.34,-39.1,;31.81,-39.1,;31.04,-40.44,;31.81,-41.77,;29.5,-40.44,;28.73,-41.77,;27.21,-41.94,;26.89,-43.44,;28.22,-44.21,;29.37,-43.18,;30.87,-43.5,;34.25,-40.35,;35.71,-39.87,;37.05,-40.64,;38.38,-39.87,;39.72,-40.64,;41.05,-39.87,;37.05,-42.18,;35.71,-42.95,;35.71,-44.49,;37.04,-45.26,;37.05,-46.8,;38.38,-44.48,;38.38,-42.94,;39.71,-42.17,)| Show InChI InChI=1S/C21H20Cl2N6O2/c1-11-14(8-24)19(13-4-3-12(22)7-16(13)23)15-9-29(21(31)20(15)26-11)10-18(30)27-17-5-6-25-28(17)2/h3-7H,8-10,24H2,1-2H3,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356590
(CHEMBL1910118)Show SMILES CCN(CC)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(39.88,-17.76,;39.11,-19.1,;39.89,-20.43,;39.12,-21.76,;39.89,-23.09,;41.43,-20.43,;42.2,-21.76,;42.19,-19.09,;43.73,-19.09,;44.63,-20.33,;46.09,-19.86,;46.1,-18.32,;47.43,-17.55,;48.76,-18.31,;50.09,-17.53,;48.77,-19.86,;50.1,-20.63,;51.43,-19.86,;47.43,-20.63,;47.43,-22.17,;46.09,-22.94,;46.09,-24.47,;47.43,-25.25,;47.43,-26.79,;48.77,-24.47,;48.76,-22.93,;50.09,-22.16,;44.63,-17.84,;44.16,-16.38,)| Show InChI InChI=1S/C21H24Cl2N4O2/c1-4-26(5-2)18(28)11-27-10-16-19(14-7-6-13(22)8-17(14)23)15(9-24)12(3)25-20(16)21(27)29/h6-8H,4-5,9-11,24H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356587
(CHEMBL1910121)Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCN(CC3)S(C)(=O)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(48.61,-29.07,;47.28,-29.84,;45.95,-29.08,;44.62,-29.86,;43.16,-29.38,;42.68,-27.91,;42.25,-30.62,;40.72,-30.62,;39.95,-31.96,;40.72,-33.29,;38.41,-31.96,;37.64,-30.63,;36.11,-30.63,;35.33,-31.96,;36.1,-33.29,;37.65,-33.3,;33.79,-31.95,;33.03,-30.62,;32.45,-32.72,;33.78,-33.49,;43.15,-31.87,;44.62,-31.4,;45.95,-32.17,;47.29,-31.39,;48.62,-32.16,;49.96,-31.39,;45.95,-33.7,;44.62,-34.47,;44.62,-36.01,;45.95,-36.78,;45.95,-38.32,;47.29,-36,;47.28,-34.47,;48.61,-33.69,)| Show InChI InChI=1S/C22H25Cl2N5O4S/c1-13-16(10-25)20(15-4-3-14(23)9-18(15)24)17-11-28(22(31)21(17)26-13)12-19(30)27-5-7-29(8-6-27)34(2,32)33/h3-4,9H,5-8,10-12,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356588
(CHEMBL1910120)Show SMILES CC(=O)N1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(11.15,-31.36,;11.92,-32.69,;11.15,-34.03,;13.46,-32.7,;14.24,-31.37,;15.77,-31.37,;16.54,-32.7,;15.78,-34.04,;14.23,-34.03,;18.08,-32.7,;18.85,-34.03,;18.84,-31.36,;20.38,-31.36,;21.28,-32.61,;22.75,-32.13,;22.75,-30.6,;24.08,-29.82,;25.41,-30.58,;26.74,-29.81,;25.42,-32.13,;26.75,-32.9,;28.08,-32.13,;24.08,-32.91,;24.08,-34.44,;22.75,-35.21,;22.74,-36.75,;24.08,-37.52,;24.08,-39.06,;25.42,-36.74,;25.41,-35.21,;26.74,-34.43,;21.28,-30.12,;20.81,-28.65,)| Show InChI InChI=1S/C23H25Cl2N5O3/c1-13-17(10-26)21(16-4-3-15(24)9-19(16)25)18-11-30(23(33)22(18)27-13)12-20(32)29-7-5-28(6-8-29)14(2)31/h3-4,9H,5-8,10-12,26H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356586
(CHEMBL1910122)Show SMILES CN1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-10,-42.49,;-8.46,-42.49,;-7.69,-41.16,;-6.16,-41.16,;-5.39,-42.49,;-6.15,-43.83,;-7.69,-43.83,;-3.85,-42.49,;-3.08,-43.82,;-3.08,-41.16,;-1.55,-41.15,;-.64,-42.4,;.82,-41.93,;.82,-40.39,;2.15,-39.61,;3.49,-40.38,;4.82,-39.6,;3.49,-41.93,;4.83,-42.69,;6.16,-41.92,;2.15,-42.7,;2.16,-44.23,;.82,-45,;.82,-46.54,;2.15,-47.31,;2.16,-48.85,;3.49,-46.53,;3.49,-45,;4.82,-44.22,;-.64,-39.91,;-1.11,-38.44,)| Show InChI InChI=1S/C22H25Cl2N5O2/c1-13-16(10-25)20(15-4-3-14(23)9-18(15)24)17-11-29(22(31)21(17)26-13)12-19(30)28-7-5-27(2)6-8-28/h3-4,9H,5-8,10-12,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356593
(CHEMBL1910115)Show SMILES Cc1nc2C(=O)N(CC(N)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(2.55,-18.29,;1.21,-19.06,;-.12,-18.3,;-1.45,-19.08,;-2.91,-18.6,;-3.39,-17.13,;-3.82,-19.84,;-5.35,-19.84,;-6.12,-21.18,;-7.66,-21.18,;-5.35,-22.51,;-2.92,-21.09,;-1.45,-20.62,;-.12,-21.39,;1.22,-20.61,;2.56,-21.38,;3.89,-20.61,;-.11,-22.92,;-1.45,-23.69,;-1.45,-25.23,;-.12,-26,;-.12,-27.54,;1.22,-25.22,;1.22,-23.69,;2.55,-22.91,)| Show InChI InChI=1S/C17H16Cl2N4O2/c1-8-11(5-20)15(10-3-2-9(18)4-13(10)19)12-6-23(7-14(21)24)17(25)16(12)22-8/h2-4H,5-7,20H2,1H3,(H2,21,24) | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356580
(CHEMBL1910111)Show SMILES COC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(20.42,.86,;21.19,2.2,;20.42,3.53,;18.88,3.53,;21.19,4.87,;22.72,4.87,;23.62,3.62,;25.09,4.09,;25.09,5.63,;26.42,6.41,;27.75,5.65,;29.08,6.42,;27.76,4.1,;29.09,3.33,;30.43,4.1,;26.42,3.32,;26.42,1.79,;25.09,1.02,;25.09,-.52,;26.42,-1.29,;26.42,-2.83,;27.76,-.51,;27.75,1.02,;29.08,1.8,;23.63,6.11,;23.15,7.59,)| Show InChI InChI=1S/C18H17Cl2N3O3/c1-9-12(6-21)16(11-4-3-10(19)5-14(11)20)13-7-23(8-15(24)26-2)18(25)17(13)22-9/h3-5H,6-8,21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
MMDB
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UniChem
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Similars
| PDB
Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356573
(CHEMBL1909991)Show SMILES COc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-5.92,-13.99,;-5.15,-12.66,;-5.92,-11.33,;-7.46,-11.33,;-8.24,-9.99,;-7.46,-8.66,;-5.92,-8.66,;-5.16,-10,;-3.62,-10,;-2.72,-11.24,;-1.26,-10.77,;-1.25,-9.23,;.07,-8.45,;1.41,-9.22,;2.74,-8.44,;1.41,-10.77,;2.75,-11.54,;4.08,-10.76,;.08,-11.54,;.08,-13.08,;-1.26,-13.84,;-1.26,-15.38,;.08,-16.15,;.08,-17.69,;1.42,-15.38,;1.41,-13.84,;2.74,-13.07,;-2.72,-8.75,;-3.19,-7.29,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-15(10-25)20(14-8-7-13(23)9-17(14)24)16-11-27(22(28)21(16)26-12)18-5-3-4-6-19(18)29-2/h3-9H,10-11,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
MMDB
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PC sid
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UniChem
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Similars
| PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356573
(CHEMBL1909991)Show SMILES COc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-5.92,-13.99,;-5.15,-12.66,;-5.92,-11.33,;-7.46,-11.33,;-8.24,-9.99,;-7.46,-8.66,;-5.92,-8.66,;-5.16,-10,;-3.62,-10,;-2.72,-11.24,;-1.26,-10.77,;-1.25,-9.23,;.07,-8.45,;1.41,-9.22,;2.74,-8.44,;1.41,-10.77,;2.75,-11.54,;4.08,-10.76,;.08,-11.54,;.08,-13.08,;-1.26,-13.84,;-1.26,-15.38,;.08,-16.15,;.08,-17.69,;1.42,-15.38,;1.41,-13.84,;2.74,-13.07,;-2.72,-8.75,;-3.19,-7.29,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-15(10-25)20(14-8-7-13(23)9-17(14)24)16-11-27(22(28)21(16)26-12)18-5-3-4-6-19(18)29-2/h3-9H,10-11,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
MMDB
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PC sid
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UniChem
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Similars
| PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356573
(CHEMBL1909991)Show SMILES COc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-5.92,-13.99,;-5.15,-12.66,;-5.92,-11.33,;-7.46,-11.33,;-8.24,-9.99,;-7.46,-8.66,;-5.92,-8.66,;-5.16,-10,;-3.62,-10,;-2.72,-11.24,;-1.26,-10.77,;-1.25,-9.23,;.07,-8.45,;1.41,-9.22,;2.74,-8.44,;1.41,-10.77,;2.75,-11.54,;4.08,-10.76,;.08,-11.54,;.08,-13.08,;-1.26,-13.84,;-1.26,-15.38,;.08,-16.15,;.08,-17.69,;1.42,-15.38,;1.41,-13.84,;2.74,-13.07,;-2.72,-8.75,;-3.19,-7.29,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-15(10-25)20(14-8-7-13(23)9-17(14)24)16-11-27(22(28)21(16)26-12)18-5-3-4-6-19(18)29-2/h3-9H,10-11,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
MMDB
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PC sid
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UniChem
Patents
Similars
| PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356596
(CHEMBL1910108)Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N |(4.98,-44.66,;3.65,-45.43,;2.31,-44.67,;.99,-45.44,;-.48,-44.97,;-.95,-43.5,;-1.38,-46.21,;-.48,-47.46,;.98,-46.98,;2.32,-47.75,;3.65,-46.98,;4.99,-47.75,;6.32,-46.98,;2.32,-49.29,;.98,-50.06,;.98,-51.6,;2.32,-52.37,;2.32,-53.91,;3.66,-51.59,;3.65,-50.05,;4.98,-49.28,;-2.92,-46.21,;-3.68,-44.87,;-5.22,-44.87,;-6,-46.2,;-5.22,-47.54,;-3.68,-47.54,;-7.54,-46.2,;-9.09,-46.21,)| Show InChI InChI=1S/C22H16Cl2N4O/c1-12-17(10-26)20(16-7-4-14(23)8-19(16)24)18-11-28(22(29)21(18)27-12)15-5-2-13(9-25)3-6-15/h2-8H,10-11,26H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356579
(CHEMBL1910112)Show SMILES Cc1nc2C(=O)N(CC(O)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(17.03,-6.22,;15.7,-6.99,;14.36,-6.23,;13.03,-7.01,;11.57,-6.53,;11.1,-5.06,;10.66,-7.77,;9.13,-7.77,;8.36,-9.11,;9.13,-10.44,;6.82,-9.11,;11.57,-9.02,;13.03,-8.54,;14.37,-9.32,;15.7,-8.54,;17.04,-9.31,;18.37,-8.54,;14.37,-10.85,;13.03,-11.62,;13.03,-13.16,;14.36,-13.93,;14.37,-15.47,;15.7,-13.15,;15.7,-11.62,;17.03,-10.84,)| Show InChI InChI=1S/C17H15Cl2N3O3/c1-8-11(5-20)15(10-3-2-9(18)4-13(10)19)12-6-22(7-14(23)24)17(25)16(12)21-8/h2-4H,5-7,20H2,1H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356577
(CHEMBL1910114)Show SMILES COCCN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(38.51,-10.89,;39.27,-9.55,;38.5,-8.22,;39.27,-6.89,;40.8,-6.88,;41.71,-8.13,;43.17,-7.66,;43.17,-6.12,;44.5,-5.34,;45.84,-6.11,;47.17,-5.33,;45.84,-7.66,;47.18,-8.42,;48.51,-7.65,;44.5,-8.43,;44.51,-9.96,;43.17,-10.73,;43.17,-12.27,;44.5,-13.04,;44.51,-14.58,;45.84,-12.27,;45.84,-10.73,;47.17,-9.96,;41.71,-5.64,;41.24,-4.18,)| Show InChI InChI=1S/C18H19Cl2N3O2/c1-10-13(8-21)16(12-4-3-11(19)7-15(12)20)14-9-23(5-6-25-2)18(24)17(14)22-10/h3-4,7H,5-6,8-9,21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
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Similars
| PDB
Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356603
(CHEMBL1909988)Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccccc1 |(26.42,4.62,;25.08,3.85,;23.75,4.61,;22.42,3.84,;20.96,4.31,;20.48,5.78,;20.05,3.07,;20.95,1.82,;22.42,2.3,;23.75,1.53,;25.09,2.3,;26.43,1.53,;27.76,2.3,;23.76,-.01,;22.42,-.78,;22.42,-2.32,;23.75,-3.09,;23.75,-4.63,;25.09,-2.31,;25.09,-.77,;26.42,-0,;18.52,3.07,;17.75,4.41,;16.21,4.41,;15.44,3.08,;16.22,1.74,;17.75,1.74,)| Show InChI InChI=1S/C21H17Cl2N3O/c1-12-16(10-24)19(15-8-7-13(22)9-18(15)23)17-11-26(21(27)20(17)25-12)14-5-3-2-4-6-14/h2-9H,10-11,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356597
(CHEMBL1910107)Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(F)cc1 |(54.92,-34.84,;53.58,-35.61,;52.25,-34.85,;50.92,-35.62,;49.46,-35.15,;48.98,-33.68,;48.55,-36.39,;49.45,-37.64,;50.92,-37.16,;52.25,-37.93,;53.59,-37.16,;54.93,-37.93,;56.26,-37.16,;52.25,-39.47,;50.92,-40.24,;50.92,-41.78,;52.25,-42.55,;52.25,-44.09,;53.59,-41.77,;53.59,-40.24,;54.92,-39.46,;47.02,-36.39,;46.25,-35.05,;44.71,-35.05,;43.94,-36.39,;42.4,-36.39,;44.71,-37.72,;46.25,-37.72,)| Show InChI InChI=1S/C21H16Cl2FN3O/c1-11-16(9-25)19(15-7-2-12(22)8-18(15)23)17-10-27(21(28)20(17)26-11)14-5-3-13(24)4-6-14/h2-8H,9-10,25H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356599
(CHEMBL1909993)Show SMILES Cc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(12.04,-37.97,;11.27,-36.64,;9.74,-36.64,;8.96,-35.3,;9.73,-33.97,;11.27,-33.97,;12.04,-35.31,;13.57,-35.3,;14.48,-36.55,;15.94,-36.08,;15.94,-34.54,;17.27,-33.76,;18.61,-34.53,;19.94,-33.75,;18.61,-36.08,;19.95,-36.84,;21.28,-36.07,;17.27,-36.85,;17.28,-38.38,;15.94,-39.15,;15.94,-40.69,;17.27,-41.46,;17.28,-43,;18.61,-40.69,;18.61,-39.15,;19.94,-38.38,;14.48,-34.06,;14.01,-32.6,)| Show InChI InChI=1S/C22H19Cl2N3O/c1-12-5-3-4-6-19(12)27-11-17-20(15-8-7-14(23)9-18(15)24)16(10-25)13(2)26-21(17)22(27)28/h3-9H,10-11,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356578
(CHEMBL1910113)Show SMILES Cc1nc2C(=O)N(CCO)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(33.04,-6.63,;31.71,-7.41,;30.38,-6.64,;29.05,-7.42,;27.58,-6.94,;27.11,-5.47,;26.68,-8.18,;25.14,-8.19,;24.38,-9.52,;25.15,-10.85,;27.58,-9.43,;29.05,-8.96,;30.38,-9.73,;31.72,-8.96,;33.05,-9.72,;34.38,-8.95,;30.38,-11.26,;29.05,-12.03,;29.04,-13.57,;30.38,-14.34,;30.38,-15.88,;31.72,-13.56,;31.71,-12.03,;33.04,-11.25,)| Show InChI InChI=1S/C17H17Cl2N3O2/c1-9-12(7-20)15(11-3-2-10(18)6-14(11)19)13-8-22(4-5-23)17(24)16(13)21-9/h2-3,6,23H,4-5,7-8,20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356602
(CHEMBL1909989)Show SMILES COc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(30.85,3.93,;31.62,2.59,;33.16,2.59,;33.93,3.93,;35.47,3.92,;36.24,2.59,;35.47,1.26,;33.93,1.25,;37.77,2.59,;38.67,1.34,;40.14,1.82,;40.14,3.35,;41.47,4.13,;42.8,3.37,;44.13,4.14,;42.81,1.82,;44.14,1.05,;45.48,1.82,;41.47,1.04,;41.47,-.49,;40.14,-1.26,;40.14,-2.8,;41.47,-3.57,;41.47,-5.11,;42.81,-2.79,;42.8,-1.26,;44.13,-.48,;38.68,3.83,;38.2,5.3,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356595
(CHEMBL1910109)Show SMILES CSc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(15.43,-50.67,;16.2,-49.34,;15.43,-48.01,;13.89,-48.01,;13.11,-46.67,;13.89,-45.34,;15.43,-45.34,;16.19,-46.68,;17.73,-46.68,;18.63,-47.92,;20.09,-47.45,;20.1,-45.91,;21.42,-45.13,;22.76,-45.9,;24.09,-45.12,;22.76,-47.45,;24.1,-48.22,;25.43,-47.44,;21.43,-48.22,;21.43,-49.76,;20.09,-50.52,;20.09,-52.06,;21.43,-52.83,;21.43,-54.37,;22.77,-52.06,;22.76,-50.52,;24.09,-49.75,;18.63,-45.43,;18.16,-43.97,)| Show InChI InChI=1S/C22H19Cl2N3OS/c1-12-15(10-25)20(14-8-7-13(23)9-17(14)24)16-11-27(22(28)21(16)26-12)18-5-3-4-6-19(18)29-2/h3-9H,10-11,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356600
(CHEMBL1909992)Show SMILES Cc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-9.47,-34.86,;-7.93,-34.86,;-7.16,-33.52,;-5.62,-33.53,;-4.85,-34.86,;-5.62,-36.19,;-7.16,-36.2,;-3.32,-34.86,;-2.42,-36.11,;-.95,-35.63,;-.95,-34.1,;.38,-33.32,;1.71,-34.08,;3.04,-33.31,;1.72,-35.63,;3.05,-36.4,;4.39,-35.63,;.38,-36.41,;.38,-37.94,;-.95,-38.71,;-.95,-40.25,;.38,-41.02,;.38,-42.56,;1.72,-40.24,;1.71,-38.71,;3.04,-37.93,;-2.41,-33.62,;-2.89,-32.15,)| Show InChI InChI=1S/C22H19Cl2N3O/c1-12-3-6-15(7-4-12)27-11-18-20(16-8-5-14(23)9-19(16)24)17(10-25)13(2)26-21(18)22(27)28/h3-9H,10-11,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356594
(CHEMBL1909647)Show SMILES Cc1nc2C(=O)NCc2c(c1CN)-c1ccc(Cl)cc1Cl |(2.06,4.78,;.72,4,;-.61,4.77,;-1.94,3.99,;-3.4,4.47,;-3.88,5.94,;-4.31,3.23,;-3.41,1.98,;-1.94,2.45,;-.61,1.68,;.73,2.45,;2.07,1.69,;3.4,2.46,;-.6,.15,;-1.94,-.62,;-1.94,-2.16,;-.61,-2.93,;-.61,-4.47,;.73,-2.15,;.73,-.62,;2.06,.16,)| Show InChI InChI=1S/C15H13Cl2N3O/c1-7-10(5-18)13(9-3-2-8(16)4-12(9)17)11-6-19-15(21)14(11)20-7/h2-4H,5-6,18H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356601
(CHEMBL1909990)Show SMILES COc1cccc(c1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(49.38,.26,;50.92,.26,;51.69,1.6,;50.91,2.94,;51.69,4.27,;53.23,4.27,;53.99,2.93,;53.23,1.6,;55.53,2.93,;56.43,1.68,;57.89,2.16,;57.9,3.7,;59.22,4.47,;60.56,3.71,;61.89,4.48,;60.56,2.16,;61.9,1.39,;63.23,2.16,;59.23,1.39,;59.23,-.15,;57.89,-.92,;57.89,-2.46,;59.23,-3.23,;59.23,-4.77,;60.57,-2.45,;60.56,-.91,;61.89,-.14,;56.43,4.17,;55.96,5.64,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-7-6-13(23)8-19(16)24)18-11-27(22(28)21(18)26-12)14-4-3-5-15(9-14)29-2/h3-9H,10-11,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356598
(CHEMBL1909994)Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 |(37.77,-35.12,;36.44,-35.9,;35.11,-35.13,;33.78,-35.91,;32.31,-35.43,;31.84,-33.96,;31.41,-36.67,;32.31,-37.92,;33.77,-37.45,;35.11,-38.22,;36.45,-37.45,;37.78,-38.21,;39.11,-37.44,;35.11,-39.75,;33.77,-40.52,;33.77,-42.06,;35.11,-42.83,;35.11,-44.37,;36.45,-42.05,;36.44,-40.52,;37.77,-39.74,;29.87,-36.68,;29.11,-35.34,;27.57,-35.34,;26.79,-36.67,;25.25,-36.67,;27.57,-38.01,;29.11,-38,)| Show InChI InChI=1S/C21H16Cl3N3O/c1-11-16(9-25)19(15-7-4-13(23)8-18(15)24)17-10-27(21(28)20(17)26-11)14-5-2-12(22)3-6-14/h2-8H,9-10,25H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356574
(CHEMBL1909986)Show SMILES Cc1nc2cn(Cc3ccccc3)cc2c(c1CN)-c1ccc(Cl)cc1Cl |(20.7,-21.4,;19.37,-22.18,;18.03,-21.41,;16.7,-22.18,;15.23,-21.7,;14.32,-22.95,;12.78,-22.95,;12.01,-21.61,;12.79,-20.29,;12.03,-18.95,;10.48,-18.95,;9.71,-20.29,;10.48,-21.62,;15.23,-24.2,;16.7,-23.73,;18.04,-24.5,;19.37,-23.73,;20.71,-24.49,;22.04,-23.72,;18.04,-26.03,;16.7,-26.8,;16.7,-28.34,;18.04,-29.11,;18.04,-30.65,;19.37,-28.33,;19.37,-26.8,;20.7,-26.02,)| Show InChI InChI=1S/C22H19Cl2N3/c1-14-18(10-25)22(17-8-7-16(23)9-20(17)24)19-12-27(13-21(19)26-14)11-15-5-3-2-4-6-15/h2-9,12-13H,10-11,25H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356581
(CHEMBL1910110)Show SMILES CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(7.32,4.34,;8.85,4.35,;9.75,3.1,;11.22,3.57,;11.22,5.11,;12.55,5.89,;13.88,5.12,;15.22,5.9,;13.89,3.57,;15.23,2.81,;16.56,3.58,;12.55,2.8,;12.56,1.27,;11.22,.5,;11.22,-1.04,;12.55,-1.81,;12.55,-3.35,;13.89,-1.03,;13.89,.5,;15.22,1.28,;9.76,5.59,;9.28,7.06,)| Show InChI InChI=1S/C16H15Cl2N3O/c1-8-11(6-19)14(10-4-3-9(17)5-13(10)18)12-7-21(2)16(22)15(12)20-8/h3-5H,6-7,19H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356576
(CHEMBL1909985)Show SMILES Cc1nc2C(=O)N(Cc3ccccc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(2.64,-21.56,;1.31,-22.34,;-.03,-21.57,;-1.36,-22.34,;-2.83,-21.86,;-3.3,-20.4,;-3.74,-23.11,;-5.28,-23.11,;-6.05,-21.78,;-5.27,-20.45,;-6.03,-19.12,;-7.58,-19.11,;-8.35,-20.46,;-7.58,-21.78,;-2.83,-24.37,;-1.36,-23.89,;-.02,-24.66,;1.31,-23.89,;2.65,-24.66,;3.98,-23.88,;-.02,-26.2,;-1.36,-26.97,;-1.36,-28.5,;-.02,-29.28,;-.02,-30.82,;1.31,-28.5,;1.31,-26.96,;2.64,-26.19,)| Show InChI InChI=1S/C22H19Cl2N3O/c1-13-17(10-25)20(16-8-7-15(23)9-19(16)24)18-12-27(22(28)21(18)26-13)11-14-5-3-2-4-6-14/h2-9H,10-12,25H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356575
(CHEMBL1909987)Show SMILES Cc1nc2CN(Cc3ccccc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(36.48,-23.4,;35.15,-24.18,;33.81,-23.42,;32.48,-24.18,;31.01,-23.7,;30.1,-24.95,;28.56,-24.95,;27.79,-23.62,;28.57,-22.29,;27.8,-20.96,;26.26,-20.96,;25.49,-22.3,;26.26,-23.63,;31.01,-26.21,;32.48,-25.73,;33.81,-26.5,;35.15,-25.73,;36.49,-26.5,;37.82,-25.73,;33.82,-28.04,;32.48,-28.81,;32.48,-30.34,;33.81,-31.12,;33.82,-32.66,;35.15,-30.34,;35.15,-28.8,;36.48,-28.03,)| Show InChI InChI=1S/C22H21Cl2N3/c1-14-18(10-25)22(17-8-7-16(23)9-20(17)24)19-12-27(13-21(19)26-14)11-15-5-3-2-4-6-15/h2-9H,10-13,25H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 51.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356583
(CHEMBL1910125)Show SMILES Cc1nc2C(=O)N(CC(=O)Nc3ccnn3C)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(39.71,-37.55,;38.38,-38.32,;37.04,-37.56,;35.71,-38.33,;34.25,-37.86,;33.78,-36.39,;33.34,-39.1,;31.81,-39.1,;31.04,-40.44,;31.81,-41.77,;29.5,-40.44,;28.73,-41.77,;27.21,-41.94,;26.89,-43.44,;28.22,-44.21,;29.37,-43.18,;30.87,-43.5,;34.25,-40.35,;35.71,-39.87,;37.05,-40.64,;38.38,-39.87,;39.72,-40.64,;41.05,-39.87,;37.05,-42.18,;35.71,-42.95,;35.71,-44.49,;37.04,-45.26,;37.05,-46.8,;38.38,-44.48,;38.38,-42.94,;39.71,-42.17,)| Show InChI InChI=1S/C21H20Cl2N6O2/c1-11-14(8-24)19(13-4-3-12(22)7-16(13)23)15-9-29(21(31)20(15)26-11)10-18(30)27-17-5-6-25-28(17)2/h3-7H,8-10,24H2,1-2H3,(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356580
(CHEMBL1910111)Show SMILES COC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(20.42,.86,;21.19,2.2,;20.42,3.53,;18.88,3.53,;21.19,4.87,;22.72,4.87,;23.62,3.62,;25.09,4.09,;25.09,5.63,;26.42,6.41,;27.75,5.65,;29.08,6.42,;27.76,4.1,;29.09,3.33,;30.43,4.1,;26.42,3.32,;26.42,1.79,;25.09,1.02,;25.09,-.52,;26.42,-1.29,;26.42,-2.83,;27.76,-.51,;27.75,1.02,;29.08,1.8,;23.63,6.11,;23.15,7.59,)| Show InChI InChI=1S/C18H17Cl2N3O3/c1-9-12(6-21)16(11-4-3-10(19)5-14(11)20)13-7-23(8-15(24)26-2)18(25)17(13)22-9/h3-5H,6-8,21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356580
(CHEMBL1910111)Show SMILES COC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(20.42,.86,;21.19,2.2,;20.42,3.53,;18.88,3.53,;21.19,4.87,;22.72,4.87,;23.62,3.62,;25.09,4.09,;25.09,5.63,;26.42,6.41,;27.75,5.65,;29.08,6.42,;27.76,4.1,;29.09,3.33,;30.43,4.1,;26.42,3.32,;26.42,1.79,;25.09,1.02,;25.09,-.52,;26.42,-1.29,;26.42,-2.83,;27.76,-.51,;27.75,1.02,;29.08,1.8,;23.63,6.11,;23.15,7.59,)| Show InChI InChI=1S/C18H17Cl2N3O3/c1-9-12(6-21)16(11-4-3-10(19)5-14(11)20)13-7-23(8-15(24)26-2)18(25)17(13)22-9/h3-5H,6-8,21H2,1-2H3 | PDB
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| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50356583
(CHEMBL1910125)Show SMILES Cc1nc2C(=O)N(CC(=O)Nc3ccnn3C)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(39.71,-37.55,;38.38,-38.32,;37.04,-37.56,;35.71,-38.33,;34.25,-37.86,;33.78,-36.39,;33.34,-39.1,;31.81,-39.1,;31.04,-40.44,;31.81,-41.77,;29.5,-40.44,;28.73,-41.77,;27.21,-41.94,;26.89,-43.44,;28.22,-44.21,;29.37,-43.18,;30.87,-43.5,;34.25,-40.35,;35.71,-39.87,;37.05,-40.64,;38.38,-39.87,;39.72,-40.64,;41.05,-39.87,;37.05,-42.18,;35.71,-42.95,;35.71,-44.49,;37.04,-45.26,;37.05,-46.8,;38.38,-44.48,;38.38,-42.94,;39.71,-42.17,)| Show InChI InChI=1S/C21H20Cl2N6O2/c1-11-14(8-24)19(13-4-3-12(22)7-16(13)23)15-9-29(21(31)20(15)26-11)10-18(30)27-17-5-6-25-28(17)2/h3-7H,8-10,24H2,1-2H3,(H,27,30) | PDB
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| 262 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356582
(CHEMBL1910126)Show SMILES Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(14.01,-46.7,;12.68,-47.48,;11.34,-46.71,;10.02,-47.49,;8.55,-47.01,;8.08,-45.55,;7.65,-48.25,;6.11,-48.26,;5.34,-49.59,;6.12,-50.92,;3.8,-49.59,;3.04,-50.93,;1.5,-50.93,;.74,-52.26,;-.8,-52.27,;-1.58,-50.93,;-.81,-49.6,;.73,-49.59,;8.55,-49.5,;10.01,-49.03,;11.35,-49.8,;12.68,-49.03,;14.02,-49.79,;15.35,-49.02,;11.35,-51.33,;10.01,-52.1,;10.01,-53.64,;11.35,-54.41,;11.35,-55.95,;12.69,-53.64,;12.68,-52.1,;14.01,-51.33,)| Show InChI InChI=1S/C23H21Cl2N5O2/c1-13-17(8-26)21(16-5-4-15(24)7-19(16)25)18-11-30(23(32)22(18)29-13)12-20(31)28-10-14-3-2-6-27-9-14/h2-7,9H,8,10-12,26H2,1H3,(H,28,31) | PDB
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| 558 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356596
(CHEMBL1910108)Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N |(4.98,-44.66,;3.65,-45.43,;2.31,-44.67,;.99,-45.44,;-.48,-44.97,;-.95,-43.5,;-1.38,-46.21,;-.48,-47.46,;.98,-46.98,;2.32,-47.75,;3.65,-46.98,;4.99,-47.75,;6.32,-46.98,;2.32,-49.29,;.98,-50.06,;.98,-51.6,;2.32,-52.37,;2.32,-53.91,;3.66,-51.59,;3.65,-50.05,;4.98,-49.28,;-2.92,-46.21,;-3.68,-44.87,;-5.22,-44.87,;-6,-46.2,;-5.22,-47.54,;-3.68,-47.54,;-7.54,-46.2,;-9.09,-46.21,)| Show InChI InChI=1S/C22H16Cl2N4O/c1-12-17(10-26)20(16-7-4-14(23)8-19(16)24)18-11-28(22(29)21(18)27-12)15-5-2-13(9-25)3-6-15/h2-8H,10-11,26H2,1H3 | PDB
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| 675 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356602
(CHEMBL1909989)Show SMILES COc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(30.85,3.93,;31.62,2.59,;33.16,2.59,;33.93,3.93,;35.47,3.92,;36.24,2.59,;35.47,1.26,;33.93,1.25,;37.77,2.59,;38.67,1.34,;40.14,1.82,;40.14,3.35,;41.47,4.13,;42.8,3.37,;44.13,4.14,;42.81,1.82,;44.14,1.05,;45.48,1.82,;41.47,1.04,;41.47,-.49,;40.14,-1.26,;40.14,-2.8,;41.47,-3.57,;41.47,-5.11,;42.81,-2.79,;42.8,-1.26,;44.13,-.48,;38.68,3.83,;38.2,5.3,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3 | PDB
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| 688 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356585
(CHEMBL1910123)Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(22.17,-39.13,;20.84,-39.9,;19.5,-39.14,;18.17,-39.91,;16.71,-39.44,;16.24,-37.97,;15.8,-40.68,;14.27,-40.68,;13.5,-42.02,;14.28,-43.35,;11.96,-42.02,;11.05,-40.78,;9.59,-41.26,;9.59,-42.8,;11.06,-43.27,;16.71,-41.93,;18.17,-41.45,;19.51,-42.22,;20.84,-41.45,;22.18,-42.22,;23.51,-41.45,;19.51,-43.76,;18.17,-44.53,;18.17,-46.07,;19.51,-46.84,;19.51,-48.38,;20.84,-46.06,;20.84,-44.52,;22.17,-43.75,)| Show InChI InChI=1S/C21H22Cl2N4O2/c1-12-15(9-24)19(14-5-4-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-6-2-3-7-26/h4-5,8H,2-3,6-7,9-11,24H2,1H3 | PDB
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| 802 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356590
(CHEMBL1910118)Show SMILES CCN(CC)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(39.88,-17.76,;39.11,-19.1,;39.89,-20.43,;39.12,-21.76,;39.89,-23.09,;41.43,-20.43,;42.2,-21.76,;42.19,-19.09,;43.73,-19.09,;44.63,-20.33,;46.09,-19.86,;46.1,-18.32,;47.43,-17.55,;48.76,-18.31,;50.09,-17.53,;48.77,-19.86,;50.1,-20.63,;51.43,-19.86,;47.43,-20.63,;47.43,-22.17,;46.09,-22.94,;46.09,-24.47,;47.43,-25.25,;47.43,-26.79,;48.77,-24.47,;48.76,-22.93,;50.09,-22.16,;44.63,-17.84,;44.16,-16.38,)| Show InChI InChI=1S/C21H24Cl2N4O2/c1-4-26(5-2)18(28)11-27-10-16-19(14-7-6-13(22)8-17(14)23)15(9-24)12(3)25-20(16)21(27)29/h6-8H,4-5,9-11,24H2,1-3H3 | PDB
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| 823 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356573
(CHEMBL1909991)Show SMILES COc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-5.92,-13.99,;-5.15,-12.66,;-5.92,-11.33,;-7.46,-11.33,;-8.24,-9.99,;-7.46,-8.66,;-5.92,-8.66,;-5.16,-10,;-3.62,-10,;-2.72,-11.24,;-1.26,-10.77,;-1.25,-9.23,;.07,-8.45,;1.41,-9.22,;2.74,-8.44,;1.41,-10.77,;2.75,-11.54,;4.08,-10.76,;.08,-11.54,;.08,-13.08,;-1.26,-13.84,;-1.26,-15.38,;.08,-16.15,;.08,-17.69,;1.42,-15.38,;1.41,-13.84,;2.74,-13.07,;-2.72,-8.75,;-3.19,-7.29,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-15(10-25)20(14-8-7-13(23)9-17(14)24)16-11-27(22(28)21(16)26-12)18-5-3-4-6-19(18)29-2/h3-9H,10-11,25H2,1-2H3 | PDB
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| 886 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356573
(CHEMBL1909991)Show SMILES COc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-5.92,-13.99,;-5.15,-12.66,;-5.92,-11.33,;-7.46,-11.33,;-8.24,-9.99,;-7.46,-8.66,;-5.92,-8.66,;-5.16,-10,;-3.62,-10,;-2.72,-11.24,;-1.26,-10.77,;-1.25,-9.23,;.07,-8.45,;1.41,-9.22,;2.74,-8.44,;1.41,-10.77,;2.75,-11.54,;4.08,-10.76,;.08,-11.54,;.08,-13.08,;-1.26,-13.84,;-1.26,-15.38,;.08,-16.15,;.08,-17.69,;1.42,-15.38,;1.41,-13.84,;2.74,-13.07,;-2.72,-8.75,;-3.19,-7.29,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-15(10-25)20(14-8-7-13(23)9-17(14)24)16-11-27(22(28)21(16)26-12)18-5-3-4-6-19(18)29-2/h3-9H,10-11,25H2,1-2H3 | PDB
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| 886 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356584
(CHEMBL1910124)Show SMILES Cc1nc2C(=O)N(CC(=O)N3CCOCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(23.9,-37.72,;22.57,-38.49,;21.24,-37.73,;19.91,-38.51,;18.45,-38.03,;17.97,-36.56,;17.54,-39.27,;16.01,-39.27,;15.24,-40.61,;16.01,-41.94,;13.7,-40.61,;12.93,-39.28,;11.4,-39.28,;10.62,-40.61,;11.39,-41.94,;12.94,-41.95,;18.44,-40.52,;19.91,-40.04,;21.24,-40.82,;22.58,-40.04,;23.91,-40.81,;25.25,-40.04,;21.24,-42.35,;19.91,-43.12,;19.91,-44.66,;21.24,-45.43,;21.24,-46.97,;22.58,-44.65,;22.57,-43.12,;23.9,-42.34,)| Show InChI InChI=1S/C21H22Cl2N4O3/c1-12-15(9-24)19(14-3-2-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-4-6-30-7-5-26/h2-3,8H,4-7,9-11,24H2,1H3 | PDB
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| 967 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50356602
(CHEMBL1909989)Show SMILES COc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(30.85,3.93,;31.62,2.59,;33.16,2.59,;33.93,3.93,;35.47,3.92,;36.24,2.59,;35.47,1.26,;33.93,1.25,;37.77,2.59,;38.67,1.34,;40.14,1.82,;40.14,3.35,;41.47,4.13,;42.8,3.37,;44.13,4.14,;42.81,1.82,;44.14,1.05,;45.48,1.82,;41.47,1.04,;41.47,-.49,;40.14,-1.26,;40.14,-2.8,;41.47,-3.57,;41.47,-5.11,;42.81,-2.79,;42.8,-1.26,;44.13,-.48,;38.68,3.83,;38.2,5.3,)| Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3 | PDB
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| 971 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356588
(CHEMBL1910120)Show SMILES CC(=O)N1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(11.15,-31.36,;11.92,-32.69,;11.15,-34.03,;13.46,-32.7,;14.24,-31.37,;15.77,-31.37,;16.54,-32.7,;15.78,-34.04,;14.23,-34.03,;18.08,-32.7,;18.85,-34.03,;18.84,-31.36,;20.38,-31.36,;21.28,-32.61,;22.75,-32.13,;22.75,-30.6,;24.08,-29.82,;25.41,-30.58,;26.74,-29.81,;25.42,-32.13,;26.75,-32.9,;28.08,-32.13,;24.08,-32.91,;24.08,-34.44,;22.75,-35.21,;22.74,-36.75,;24.08,-37.52,;24.08,-39.06,;25.42,-36.74,;25.41,-35.21,;26.74,-34.43,;21.28,-30.12,;20.81,-28.65,)| Show InChI InChI=1S/C23H25Cl2N5O3/c1-13-17(10-26)21(16-4-3-15(24)9-19(16)25)18-11-30(23(33)22(18)27-13)12-20(32)29-7-5-28(6-8-29)14(2)31/h3-4,9H,5-8,10-12,26H2,1-2H3 | PDB
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| 993 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356599
(CHEMBL1909993)Show SMILES Cc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(12.04,-37.97,;11.27,-36.64,;9.74,-36.64,;8.96,-35.3,;9.73,-33.97,;11.27,-33.97,;12.04,-35.31,;13.57,-35.3,;14.48,-36.55,;15.94,-36.08,;15.94,-34.54,;17.27,-33.76,;18.61,-34.53,;19.94,-33.75,;18.61,-36.08,;19.95,-36.84,;21.28,-36.07,;17.27,-36.85,;17.28,-38.38,;15.94,-39.15,;15.94,-40.69,;17.27,-41.46,;17.28,-43,;18.61,-40.69,;18.61,-39.15,;19.94,-38.38,;14.48,-34.06,;14.01,-32.6,)| Show InChI InChI=1S/C22H19Cl2N3O/c1-12-5-3-4-6-19(12)27-11-17-20(15-8-7-14(23)9-18(15)24)16(10-25)13(2)26-21(17)22(27)28/h3-9H,10-11,25H2,1-2H3 | PDB
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UniProtKB/SwissProt
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AffyNet
| CHEMBL
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PC sid
UniChem
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Similars
| Article
PubMed
| 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50356596
(CHEMBL1910108)Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N |(4.98,-44.66,;3.65,-45.43,;2.31,-44.67,;.99,-45.44,;-.48,-44.97,;-.95,-43.5,;-1.38,-46.21,;-.48,-47.46,;.98,-46.98,;2.32,-47.75,;3.65,-46.98,;4.99,-47.75,;6.32,-46.98,;2.32,-49.29,;.98,-50.06,;.98,-51.6,;2.32,-52.37,;2.32,-53.91,;3.66,-51.59,;3.65,-50.05,;4.98,-49.28,;-2.92,-46.21,;-3.68,-44.87,;-5.22,-44.87,;-6,-46.2,;-5.22,-47.54,;-3.68,-47.54,;-7.54,-46.2,;-9.09,-46.21,)| Show InChI InChI=1S/C22H16Cl2N4O/c1-12-17(10-26)20(16-7-4-14(23)8-19(16)24)18-11-28(22(29)21(18)27-12)15-5-2-13(9-25)3-6-15/h2-8H,10-11,26H2,1H3 | PDB
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UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356600
(CHEMBL1909992)Show SMILES Cc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-9.47,-34.86,;-7.93,-34.86,;-7.16,-33.52,;-5.62,-33.53,;-4.85,-34.86,;-5.62,-36.19,;-7.16,-36.2,;-3.32,-34.86,;-2.42,-36.11,;-.95,-35.63,;-.95,-34.1,;.38,-33.32,;1.71,-34.08,;3.04,-33.31,;1.72,-35.63,;3.05,-36.4,;4.39,-35.63,;.38,-36.41,;.38,-37.94,;-.95,-38.71,;-.95,-40.25,;.38,-41.02,;.38,-42.56,;1.72,-40.24,;1.71,-38.71,;3.04,-37.93,;-2.41,-33.62,;-2.89,-32.15,)| Show InChI InChI=1S/C22H19Cl2N3O/c1-12-3-6-15(7-4-12)27-11-18-20(16-8-5-14(23)9-19(16)24)17(10-25)13(2)26-21(18)22(27)28/h3-9H,10-11,25H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | |
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