Found 105 hits of Enzyme Inhibition Constant Data 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)) | BDBM50323167
((5-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-7-meth...)Show SMILES COc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(9.11,-30.79,;9.9,-32.12,;11.43,-32.11,;12.2,-30.77,;13.74,-30.76,;14.51,-32.09,;13.76,-33.43,;12.22,-33.44,;16.05,-32.08,;16.97,-33.32,;18.43,-32.84,;19.77,-33.6,;21.1,-32.82,;22.43,-33.59,;23.77,-32.82,;21.1,-31.29,;22.43,-30.51,;19.76,-30.52,;18.42,-31.29,;16.95,-30.83,;19.78,-35.13,;18.45,-35.9,;18.44,-37.45,;19.78,-38.22,;19.78,-39.76,;21.12,-37.45,;21.11,-35.9,;22.44,-35.12,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(10-24)20(16-8-5-14(22)9-18(16)23)27-11-19(26-21(27)25-12)13-3-6-15(28-2)7-4-13/h3-9,11H,10,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323161
((5-(2,4-dichlorophenyl)-7-methyl-2-phenylimidazo[1...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-17(15)22)26-11-18(25-20(26)24-12)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323164
((2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methy...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(22.47,-12.16,;21.14,-12.93,;19.8,-12.16,;18.47,-12.94,;17,-12.47,;16.1,-13.72,;17.01,-14.97,;18.48,-14.48,;19.81,-15.24,;21.14,-14.47,;22.48,-15.23,;23.81,-14.46,;19.82,-16.77,;18.49,-17.55,;18.49,-19.09,;19.82,-19.86,;19.82,-21.4,;21.16,-19.09,;21.16,-17.54,;22.49,-16.76,;14.56,-13.73,;13.78,-12.4,;12.24,-12.41,;11.48,-13.75,;9.94,-13.77,;12.27,-15.09,;13.8,-15.07,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(9-24)19(15-7-6-14(22)8-17(15)23)27-10-18(26-20(27)25-11)12-2-4-13(21)5-3-12/h2-8,10H,9,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323193
((5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyri...)Show SMILES Cc1nc2nccn2c(c1CN)-c1ccc(Cl)cc1Cl |(-.84,5.36,;-2.17,4.59,;-3.5,5.36,;-4.84,4.58,;-6.31,5.05,;-7.21,3.8,;-6.29,2.55,;-4.83,3.04,;-3.5,2.28,;-2.16,3.05,;-.83,2.29,;.5,3.06,;-3.49,.75,;-4.81,-.02,;-4.82,-1.57,;-3.48,-2.34,;-3.48,-3.88,;-2.15,-1.57,;-2.15,-.02,;-.82,.76,)| Show InChI InChI=1S/C14H12Cl2N4/c1-8-11(7-17)13(20-5-4-18-14(20)19-8)10-3-2-9(15)6-12(10)16/h2-6H,7,17H2,1H3 | 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
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323168
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323170
((7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[...)Show SMILES Cc1nc2c(cnn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(17.35,3.69,;16.02,2.91,;14.68,3.68,;13.35,2.91,;11.88,3.37,;10.98,2.12,;11.89,.88,;13.36,1.36,;14.69,.6,;16.02,1.38,;17.36,.61,;18.69,1.38,;14.7,-.93,;13.37,-1.7,;13.37,-3.25,;14.7,-4.02,;14.7,-5.56,;16.04,-3.25,;16.04,-1.7,;17.37,-.92,;11.08,4.69,;11.83,6.04,;11.03,7.35,;9.49,7.32,;8.75,5.97,;9.55,4.65,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-18(15)22)26-20(25-12)17(11-24-26)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | 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
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323187
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methox...)Show SMILES COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(17.71,-13.96,;19.25,-13.95,;20.01,-12.61,;21.55,-12.6,;22.31,-11.26,;21.53,-9.93,;23.85,-11.25,;24.75,-10,;26.22,-10.46,;27.56,-9.69,;28.9,-10.46,;30.23,-9.68,;28.9,-12,;30.24,-12.76,;31.57,-11.99,;27.57,-12.77,;27.58,-14.3,;26.25,-15.07,;26.25,-16.62,;27.58,-17.39,;27.58,-18.93,;28.92,-16.62,;28.91,-15.07,;30.24,-14.29,;26.23,-12.01,;24.77,-12.49,)| Show InChI InChI=1S/C17H20Cl2N6O/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24(2)6-7-26-3/h4-5,8H,6-7,9,20H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323162
((2-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methy...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(39.17,3.9,;37.83,3.12,;36.5,3.89,;35.16,3.12,;33.69,3.58,;32.79,2.33,;33.71,1.09,;35.17,1.57,;36.5,.81,;37.84,1.58,;39.17,.82,;40.5,1.59,;36.51,-.72,;35.18,-1.49,;35.18,-3.04,;36.52,-3.81,;36.52,-5.35,;37.85,-3.04,;37.85,-1.49,;39.18,-.71,;31.25,2.32,;30.47,3.65,;28.94,3.64,;28.17,2.3,;28.96,.97,;30.5,.98,;31.28,-.34,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-15(9-24)19(14-7-6-12(21)8-17(14)23)27-10-18(26-20(27)25-11)13-4-2-3-5-16(13)22/h2-8,10H,9,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323174
((2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methy...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(16.35,-8.79,;15.02,-9.57,;13.69,-8.8,;12.35,-9.57,;10.88,-9.11,;9.98,-10.36,;10.9,-11.6,;12.36,-11.12,;13.69,-11.88,;15.03,-11.1,;16.36,-11.87,;17.69,-11.1,;13.7,-13.41,;12.37,-14.18,;12.37,-15.72,;13.71,-16.5,;13.71,-18.03,;15.04,-15.72,;15.04,-14.17,;16.37,-13.4,;8.44,-10.37,;7.67,-9.04,;6.13,-9.05,;5.37,-10.39,;6.15,-11.72,;7.69,-11.71,;8.47,-13.03,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-15(10-24)20(14-7-6-12(21)8-17(14)23)27-19(25-11)9-18(26-27)13-4-2-3-5-16(13)22/h2-9H,10,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323171
((7-(2,4-dichlorophenyl)-5-methyl-2-phenylpyrazolo[...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(32.22,5.03,;30.89,4.26,;29.56,5.02,;28.22,4.25,;26.75,4.72,;25.85,3.46,;26.77,2.22,;28.23,2.71,;29.56,1.95,;30.9,2.72,;32.23,1.95,;33.56,2.72,;29.57,.41,;28.25,-.36,;28.24,-1.9,;29.58,-2.67,;29.58,-4.21,;30.91,-1.9,;30.91,-.35,;32.24,.42,;24.31,3.45,;23.54,4.78,;22,4.77,;21.24,3.43,;22.02,2.1,;23.56,2.12,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(11-23)20(15-8-7-14(21)9-17(15)22)26-19(24-12)10-18(25-26)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323165
((5-(2,4-dichlorophenyl)-7-methyl-2-p-tolylimidazo[...)Show SMILES Cc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(27.16,-14.66,;28.7,-14.65,;29.46,-13.31,;31,-13.3,;31.78,-14.63,;31.03,-15.96,;29.49,-15.98,;33.32,-14.62,;34.24,-15.86,;35.7,-15.38,;37.03,-16.14,;38.37,-15.36,;39.7,-16.13,;41.03,-15.36,;38.36,-13.82,;39.69,-13.05,;37.03,-13.06,;35.69,-13.83,;34.22,-13.36,;37.04,-17.67,;35.71,-18.44,;35.71,-19.99,;37.05,-20.76,;37.04,-22.3,;38.38,-19.98,;38.38,-18.43,;39.71,-17.66,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-3-5-14(6-4-12)19-11-27-20(16-8-7-15(22)9-18(16)23)17(10-24)13(2)25-21(27)26-19/h3-9,11H,10,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323163
((2-(3-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methy...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1 |(2.01,-11.55,;.68,-12.32,;-.66,-11.55,;-1.99,-12.33,;-3.47,-11.86,;-4.36,-13.12,;-3.45,-14.36,;-1.98,-13.87,;-.65,-14.63,;.68,-13.86,;2.02,-14.63,;3.35,-13.86,;-.64,-16.17,;-1.97,-16.94,;-1.97,-18.48,;-.64,-19.25,;-.64,-20.79,;.7,-18.48,;.69,-16.93,;2.02,-16.16,;-5.9,-13.13,;-6.68,-11.8,;-8.22,-11.81,;-8.98,-13.15,;-8.19,-14.48,;-8.95,-15.82,;-6.66,-14.46,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(9-24)19(15-6-5-14(22)8-17(15)23)27-10-18(26-20(27)25-11)12-3-2-4-13(21)7-12/h2-8,10H,9,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323178
((7-(2,4-dichlorophenyl)-5-methyl-2-p-tolylpyrazolo...)Show SMILES Cc1ccc(cc1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(5.3,-29.16,;6.84,-29.15,;7.6,-27.81,;9.14,-27.8,;9.91,-29.13,;9.16,-30.46,;7.62,-30.48,;11.45,-29.12,;12.35,-27.86,;13.82,-28.33,;15.16,-27.56,;16.5,-28.32,;17.83,-27.55,;16.5,-29.86,;17.83,-30.63,;19.17,-29.86,;15.16,-30.63,;15.18,-32.17,;13.85,-32.94,;13.84,-34.48,;15.18,-35.25,;15.18,-36.79,;16.52,-34.48,;16.51,-32.93,;17.84,-32.16,;13.83,-29.87,;12.37,-30.36,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-3-5-14(6-4-12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-8-7-15(22)9-18(16)23/h3-10H,11,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323169
((7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a...)Show SMILES Cc1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-8.28,2.56,;-6.74,2.57,;-5.84,3.82,;-4.37,3.36,;-3.04,4.13,;-1.7,3.36,;-.37,4.14,;-1.7,1.82,;-.36,1.06,;.97,1.83,;-3.03,1.05,;-3.02,-.48,;-4.35,-1.25,;-4.35,-2.8,;-3.02,-3.57,;-3.02,-5.1,;-1.68,-2.79,;-1.69,-1.24,;-.36,-.47,;-4.36,1.81,;-5.82,1.33,)| Show InChI InChI=1S/C15H14Cl2N4/c1-8-5-14-19-9(2)12(7-18)15(21(14)20-8)11-4-3-10(16)6-13(11)17/h3-6H,7,18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323190
((7-(2,4-dichlorophenyl)-5-methyl-2-thiomorpholino-...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCSCC1 |(18.45,-25.01,;17.12,-25.78,;15.79,-25.01,;14.45,-25.79,;12.98,-25.32,;12.08,-26.58,;12.99,-27.82,;14.46,-27.33,;15.79,-28.09,;17.13,-27.32,;18.46,-28.09,;19.79,-27.31,;15.8,-29.63,;14.47,-30.4,;14.47,-31.94,;15.81,-32.71,;15.8,-34.25,;17.14,-31.94,;17.14,-30.39,;18.47,-29.62,;10.54,-26.59,;9.76,-25.25,;8.22,-25.26,;7.46,-26.6,;8.25,-27.94,;9.78,-27.92,)| Show InChI InChI=1S/C17H18Cl2N6S/c1-10-13(9-20)15(12-3-2-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24-4-6-26-7-5-24/h2-3,8H,4-7,9,20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323177
((7-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-5-meth...)Show SMILES COc1ccc(cc1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-11.12,-26.33,;-10.34,-27.66,;-8.8,-27.64,;-8.04,-26.3,;-6.5,-26.29,;-5.73,-27.62,;-6.48,-28.96,;-8.01,-28.98,;-4.19,-27.61,;-3.29,-26.36,;-1.81,-26.83,;-.48,-26.05,;.86,-26.82,;2.19,-26.05,;.86,-28.36,;2.2,-29.13,;3.53,-28.35,;-.47,-29.13,;-.46,-30.67,;-1.79,-31.44,;-1.79,-32.98,;-.46,-33.75,;-.46,-35.29,;.88,-32.98,;.87,-31.43,;2.2,-30.65,;-1.8,-28.37,;-3.27,-28.86,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(11-24)21(16-8-5-14(22)9-18(16)23)27-20(25-12)10-19(26-27)13-3-6-15(28-2)7-4-13/h3-10H,11,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323189
((7-(2,4-dichlorophenyl)-5-methyl-2-morpholino-[1,2...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCOCC1 |(1.61,-23.89,;.28,-24.66,;-1.05,-23.9,;-2.39,-24.67,;-3.86,-24.2,;-4.76,-25.46,;-3.84,-26.7,;-2.38,-26.22,;-1.05,-26.98,;.29,-26.2,;1.62,-26.97,;2.95,-26.2,;-1.04,-28.51,;-2.37,-29.28,;-2.37,-30.83,;-1.03,-31.6,;-1.04,-33.14,;.3,-30.82,;.3,-29.27,;1.63,-28.5,;-6.3,-25.47,;-7.08,-24.14,;-8.62,-24.15,;-9.38,-25.49,;-8.59,-26.82,;-7.05,-26.8,)| Show InChI InChI=1S/C17H18Cl2N6O/c1-10-13(9-20)15(12-3-2-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24-4-6-26-7-5-24/h2-3,8H,4-7,9,20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323176
((2-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methy...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(48.4,-10.78,;47.07,-11.56,;45.73,-10.79,;44.4,-11.56,;42.93,-11.1,;42.03,-12.35,;42.94,-13.59,;44.41,-13.11,;45.74,-13.87,;47.07,-13.09,;48.41,-13.86,;49.74,-13.09,;45.75,-15.4,;44.42,-16.17,;44.42,-17.72,;45.75,-18.49,;45.75,-20.03,;47.09,-17.71,;47.08,-16.16,;48.42,-15.39,;40.49,-12.36,;39.71,-11.03,;38.18,-11.04,;37.41,-12.38,;35.87,-12.39,;38.2,-13.71,;39.74,-13.7,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(10-24)20(15-7-6-14(22)8-17(15)23)27-19(25-11)9-18(26-27)12-2-4-13(21)5-3-12/h2-9H,10,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323166
((5-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)-7-meth...)Show SMILES COc1cccc(c1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-10.78,-33.21,;-9.24,-33.19,;-8.48,-31.85,;-9.27,-30.51,;-8.51,-29.17,;-6.97,-29.16,;-6.19,-30.5,;-6.95,-31.83,;-4.65,-30.49,;-3.74,-31.73,;-2.27,-31.24,;-.94,-32,;.4,-31.23,;1.73,-32,;3.06,-31.22,;.39,-29.69,;1.72,-28.92,;-.95,-28.92,;-2.28,-29.7,;-3.75,-29.23,;-.93,-33.54,;-2.26,-34.31,;-2.26,-35.85,;-.93,-36.62,;-.93,-38.16,;.41,-35.85,;.41,-34.3,;1.74,-33.53,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(10-24)20(16-7-6-14(22)9-18(16)23)27-11-19(26-21(27)25-12)13-4-3-5-15(8-13)28-2/h3-9,11H,10,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323175
((7-(2,4-dichlorophenyl)-2-(furan-2-yl)-5-methylpyr...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccco1 |(32.7,-8.42,;31.37,-9.2,;30.03,-8.43,;28.7,-9.2,;27.23,-8.74,;26.33,-9.99,;27.24,-11.23,;28.71,-10.75,;30.04,-11.51,;31.37,-10.74,;32.71,-11.5,;34.04,-10.73,;30.05,-13.04,;28.72,-13.81,;28.72,-15.36,;30.05,-16.13,;30.05,-17.67,;31.39,-15.36,;31.38,-13.81,;32.72,-13.03,;24.79,-10,;23.87,-8.77,;22.41,-9.26,;22.42,-10.8,;23.89,-11.26,)| Show InChI InChI=1S/C18H14Cl2N4O/c1-10-13(9-21)18(12-5-4-11(19)7-14(12)20)24-17(22-10)8-15(23-24)16-3-2-6-25-16/h2-8H,9,21H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323186
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-ethyl-N,5...)Show SMILES CCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(4.01,-11.98,;5.55,-11.97,;6.31,-10.63,;5.54,-9.3,;7.85,-10.62,;8.75,-9.37,;10.23,-9.83,;11.56,-9.06,;12.9,-9.83,;14.23,-9.05,;12.9,-11.37,;14.24,-12.13,;15.57,-11.36,;11.57,-12.14,;11.58,-13.67,;10.25,-14.44,;10.25,-15.99,;11.58,-16.76,;11.58,-18.3,;12.92,-15.99,;12.91,-14.44,;14.24,-13.66,;10.24,-11.38,;8.77,-11.86,)| Show InChI InChI=1S/C16H18Cl2N6/c1-4-23(3)16-21-15-20-9(2)12(8-19)14(24(15)22-16)11-6-5-10(17)7-13(11)18/h5-7H,4,8,19H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323188
((7-(2,4-dichlorophenyl)-5-methyl-2-(pyrrolidin-1-y...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCCC1 |(43.1,-9.38,;41.77,-10.15,;40.43,-9.39,;39.1,-10.16,;37.62,-9.69,;36.73,-10.95,;37.64,-12.19,;39.11,-11.7,;40.44,-12.46,;41.77,-11.69,;43.11,-12.46,;44.44,-11.69,;40.45,-14,;39.12,-14.77,;39.12,-16.31,;40.45,-17.09,;40.45,-18.63,;41.79,-16.31,;41.78,-14.76,;43.11,-13.99,;35.19,-10.96,;34.28,-9.73,;32.81,-10.21,;32.83,-11.75,;34.29,-12.22,)| Show InChI InChI=1S/C17H18Cl2N6/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24-6-2-3-7-24/h4-5,8H,2-3,6-7,9,20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323173
((7-(2,4-dichlorophenyl)-5-methyl-2-o-tolylpyrazolo...)Show SMILES Cc1ccccc1-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-6.57,-12.99,;-7.36,-11.66,;-8.89,-11.68,;-9.68,-10.35,;-8.92,-9.01,;-7.38,-9,;-6.6,-10.33,;-5.06,-10.32,;-4.17,-9.06,;-2.69,-9.53,;-1.36,-8.76,;-.02,-9.52,;1.31,-8.75,;-.02,-11.06,;1.32,-11.83,;2.65,-11.06,;-1.35,-11.83,;-1.34,-13.37,;-2.67,-14.14,;-2.67,-15.68,;-1.34,-16.45,;-1.34,-17.99,;-0,-15.68,;-.01,-14.13,;1.32,-13.36,;-2.68,-11.07,;-4.15,-11.56,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-5-3-4-6-15(12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-8-7-14(22)9-18(16)23/h3-10H,11,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323181
((7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazo...)Show SMILES Cc1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-9.97,3.4,;-8.43,3.41,;-7.54,4.67,;-6.07,4.2,;-4.73,4.98,;-3.39,4.21,;-2.06,4.98,;-3.39,2.67,;-2.06,1.91,;-.73,2.68,;-4.73,1.91,;-4.73,.37,;-6.04,-.4,;-6.04,-1.95,;-4.71,-2.72,;-4.71,-4.26,;-3.37,-1.95,;-3.4,-.4,;-2.06,.37,;-6.06,2.66,;-7.52,2.17,)| Show InChI InChI=1S/C14H13Cl2N5/c1-7-11(6-17)13(10-4-3-9(15)5-12(10)16)21-14(18-7)19-8(2)20-21/h3-5H,6,17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323182
((7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]t...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(12.82,5.09,;11.49,4.32,;10.15,5.09,;8.82,4.31,;7.35,4.78,;6.45,3.53,;7.36,2.28,;8.83,2.77,;10.16,2.01,;11.49,2.78,;12.83,2.02,;14.16,2.79,;10.17,.48,;8.84,-.3,;8.84,-1.84,;10.17,-2.61,;10.17,-4.15,;11.51,-1.84,;11.5,-.29,;12.84,.49,;4.91,3.52,;4.13,4.85,;2.59,4.84,;1.83,3.5,;2.62,2.16,;4.15,2.18,)| Show InChI InChI=1S/C19H15Cl2N5/c1-11-15(10-22)17(14-8-7-13(20)9-16(14)21)26-19(23-11)24-18(25-26)12-5-3-2-4-6-12/h2-9H,10,22H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323185
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N,N-diethyl...)Show SMILES CCN(CC)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-9.42,-8.67,;-7.88,-8.66,;-7.1,-9.99,;-7.86,-11.33,;-9.4,-11.34,;-5.56,-9.98,;-4.66,-8.72,;-3.19,-9.19,;-1.86,-8.41,;-.52,-9.18,;.81,-8.41,;-.51,-10.72,;.82,-11.49,;2.15,-10.71,;-1.85,-11.49,;-1.84,-13.03,;-3.17,-13.8,;-3.17,-15.34,;-1.84,-16.11,;-1.84,-17.65,;-.5,-15.34,;-.5,-13.79,;.83,-13.02,;-3.18,-10.73,;-4.65,-11.22,)| Show InChI InChI=1S/C17H20Cl2N6/c1-4-24(5-2)17-22-16-21-10(3)13(9-20)15(25(16)23-17)12-7-6-11(18)8-14(12)19/h6-8H,4-5,9,20H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323172
(1-(6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl...)Show SMILES CCC(=O)c1cnn2c(c(CN)c(C)nc12)-c1ccc(Cl)cc1Cl |(35.55,5.03,;36.03,3.57,;37.54,3.26,;38.56,4.42,;38.03,1.8,;37.12,.54,;38.05,-.7,;39.51,-.21,;40.84,-.97,;42.18,-.2,;43.51,-.96,;44.84,-.19,;42.17,1.34,;43.51,2.12,;40.84,2.11,;39.5,1.34,;40.85,-2.5,;39.52,-3.27,;39.52,-4.82,;40.86,-5.59,;40.86,-7.13,;42.19,-4.82,;42.19,-3.27,;43.52,-2.49,)| Show InChI InChI=1S/C17H16Cl2N4O/c1-3-15(24)13-8-21-23-16(11-5-4-10(18)6-14(11)19)12(7-20)9(2)22-17(13)23/h4-6,8H,3,7,20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323179
((7-(2,4-dichlorophenyl)-5-methyl-2-m-tolylpyrazolo...)Show SMILES Cc1cccc(c1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(22.14,-31.62,;22.89,-30.28,;22.11,-28.94,;22.87,-27.6,;24.41,-27.59,;25.18,-28.93,;24.43,-30.26,;26.72,-28.92,;27.62,-27.66,;29.09,-28.13,;30.43,-27.35,;31.77,-28.12,;33.1,-27.35,;31.77,-29.66,;33.11,-30.43,;34.44,-29.65,;30.44,-30.43,;30.45,-31.97,;29.12,-32.74,;29.12,-34.28,;30.45,-35.05,;30.45,-36.59,;31.79,-34.28,;31.78,-32.73,;33.11,-31.95,;29.1,-29.67,;27.64,-30.16,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-4-3-5-14(8-12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-7-6-15(22)9-18(16)23/h3-10H,11,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323184
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 |(43.09,4.27,;41.75,3.5,;40.42,4.26,;39.08,3.49,;37.61,3.96,;36.71,2.7,;37.63,1.46,;39.09,1.95,;40.42,1.19,;41.76,1.96,;43.09,1.19,;44.42,1.96,;40.43,-.35,;39.1,-1.12,;39.1,-2.66,;40.44,-3.44,;40.44,-4.98,;41.77,-2.66,;41.77,-1.11,;43.1,-.34,;35.17,2.69,;34.41,1.35,;34.39,4.02,;32.85,4.01,;32.07,5.33,;30.53,5.32,;29.77,3.98,;30.56,2.65,;32.09,2.67,)| Show InChI InChI=1S/C20H16Cl2N6O/c1-11-15(10-23)17(14-8-7-12(21)9-16(14)22)28-20(24-11)26-18(27-28)19(29)25-13-5-3-2-4-6-13/h2-9H,10,23H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323192
((7-(2,4-dichlorophenyl)-5-methyl-2-(piperazin-1-yl...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCNCC1 |(9.44,-38.95,;8.11,-39.72,;6.77,-38.96,;5.43,-39.73,;3.96,-39.26,;3.06,-40.52,;3.98,-41.76,;5.44,-41.28,;6.78,-42.04,;8.11,-41.26,;9.45,-42.03,;10.78,-41.26,;6.79,-43.57,;5.46,-44.34,;5.46,-45.89,;6.79,-46.66,;6.79,-48.2,;8.13,-45.88,;8.12,-44.33,;9.45,-43.56,;1.52,-40.53,;.75,-39.2,;-.79,-39.21,;-1.55,-40.55,;-.77,-41.88,;.77,-41.86,)| Show InChI InChI=1S/C17H19Cl2N7/c1-10-13(9-20)15(12-3-2-11(18)8-14(12)19)26-16(22-10)23-17(24-26)25-6-4-21-5-7-25/h2-3,8,21H,4-7,9,20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323183
(CHEMBL1209683 | methyl 6-(aminomethyl)-7-(2,4-dich...)Show SMILES COC(=O)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(16.94,4.65,;18.48,4.66,;19.26,3.33,;18.5,1.99,;20.8,3.34,;21.7,4.59,;23.17,4.13,;24.5,4.9,;25.84,4.13,;27.17,4.91,;25.84,2.6,;27.18,1.83,;28.51,2.6,;24.51,1.82,;24.52,.29,;23.19,-.48,;23.19,-2.03,;24.52,-2.8,;24.52,-4.34,;25.86,-2.03,;25.85,-.48,;27.19,.3,;23.18,2.58,;21.71,2.1,)| Show InChI InChI=1S/C15H13Cl2N5O2/c1-7-10(6-18)12(9-4-3-8(16)5-11(9)17)22-15(19-7)20-13(21-22)14(23)24-2/h3-5H,6,18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
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| Article
PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323180
((2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methy...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1 |(49.4,-30.31,;48.07,-31.08,;46.73,-30.31,;45.4,-31.09,;43.93,-30.62,;43.03,-31.88,;43.94,-33.12,;45.41,-32.63,;46.74,-33.39,;48.07,-32.62,;49.41,-33.39,;50.74,-32.61,;46.75,-34.93,;45.42,-35.7,;45.42,-37.24,;46.75,-38.01,;46.75,-39.55,;48.09,-37.24,;48.08,-35.69,;49.41,-34.91,;41.49,-31.89,;40.71,-30.56,;39.17,-30.57,;38.41,-31.9,;39.2,-33.24,;38.44,-34.58,;40.73,-33.22,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(10-24)20(15-6-5-14(22)8-17(15)23)27-19(25-11)9-18(26-27)12-3-2-4-13(21)7-12/h2-9H,10,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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PubMed
| 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323191
(CHEMBL1209850 | tert-butyl 4-(6-(aminomethyl)-7-(2...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCN(CC1)C(=O)OC(C)(C)C |(40.71,-27.16,;39.38,-27.93,;38.04,-27.17,;36.71,-27.94,;35.24,-27.47,;34.34,-28.73,;35.25,-29.97,;36.72,-29.48,;38.05,-30.24,;39.39,-29.47,;40.72,-30.24,;42.05,-29.47,;38.06,-31.78,;36.73,-32.55,;36.73,-34.09,;38.06,-34.87,;38.06,-36.41,;39.4,-34.09,;39.4,-32.54,;40.73,-31.77,;32.8,-28.74,;32.02,-27.41,;30.48,-27.42,;29.72,-28.76,;30.51,-30.09,;32.04,-30.07,;28.18,-28.77,;27.42,-30.11,;27.4,-27.44,;25.86,-27.45,;25.08,-26.13,;25.1,-28.79,;24.31,-27.44,)| Show InChI InChI=1S/C22H27Cl2N7O2/c1-13-16(12-25)18(15-6-5-14(23)11-17(15)24)31-19(26-13)27-20(28-31)29-7-9-30(10-8-29)21(32)33-22(2,3)4/h5-6,11H,7-10,12,25H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
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PubMed
| 442 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323167
((5-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-7-meth...)Show SMILES COc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(9.11,-30.79,;9.9,-32.12,;11.43,-32.11,;12.2,-30.77,;13.74,-30.76,;14.51,-32.09,;13.76,-33.43,;12.22,-33.44,;16.05,-32.08,;16.97,-33.32,;18.43,-32.84,;19.77,-33.6,;21.1,-32.82,;22.43,-33.59,;23.77,-32.82,;21.1,-31.29,;22.43,-30.51,;19.76,-30.52,;18.42,-31.29,;16.95,-30.83,;19.78,-35.13,;18.45,-35.9,;18.44,-37.45,;19.78,-38.22,;19.78,-39.76,;21.12,-37.45,;21.11,-35.9,;22.44,-35.12,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(10-24)20(16-8-5-14(22)9-18(16)23)27-11-19(26-21(27)25-12)13-3-6-15(28-2)7-4-13/h3-9,11H,10,24H2,1-2H3 | PDB
KEGG
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323167
((5-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-7-meth...)Show SMILES COc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(9.11,-30.79,;9.9,-32.12,;11.43,-32.11,;12.2,-30.77,;13.74,-30.76,;14.51,-32.09,;13.76,-33.43,;12.22,-33.44,;16.05,-32.08,;16.97,-33.32,;18.43,-32.84,;19.77,-33.6,;21.1,-32.82,;22.43,-33.59,;23.77,-32.82,;21.1,-31.29,;22.43,-30.51,;19.76,-30.52,;18.42,-31.29,;16.95,-30.83,;19.78,-35.13,;18.45,-35.9,;18.44,-37.45,;19.78,-38.22,;19.78,-39.76,;21.12,-37.45,;21.11,-35.9,;22.44,-35.12,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(10-24)20(16-8-5-14(22)9-18(16)23)27-11-19(26-21(27)25-12)13-3-6-15(28-2)7-4-13/h3-9,11H,10,24H2,1-2H3 | PDB
KEGG
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PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323165
((5-(2,4-dichlorophenyl)-7-methyl-2-p-tolylimidazo[...)Show SMILES Cc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(27.16,-14.66,;28.7,-14.65,;29.46,-13.31,;31,-13.3,;31.78,-14.63,;31.03,-15.96,;29.49,-15.98,;33.32,-14.62,;34.24,-15.86,;35.7,-15.38,;37.03,-16.14,;38.37,-15.36,;39.7,-16.13,;41.03,-15.36,;38.36,-13.82,;39.69,-13.05,;37.03,-13.06,;35.69,-13.83,;34.22,-13.36,;37.04,-17.67,;35.71,-18.44,;35.71,-19.99,;37.05,-20.76,;37.04,-22.3,;38.38,-19.98,;38.38,-18.43,;39.71,-17.66,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-3-5-14(6-4-12)19-11-27-20(16-8-7-15(22)9-18(16)23)17(10-24)13(2)25-21(27)26-19/h3-9,11H,10,24H2,1-2H3 | PDB
KEGG
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| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323177
((7-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-5-meth...)Show SMILES COc1ccc(cc1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-11.12,-26.33,;-10.34,-27.66,;-8.8,-27.64,;-8.04,-26.3,;-6.5,-26.29,;-5.73,-27.62,;-6.48,-28.96,;-8.01,-28.98,;-4.19,-27.61,;-3.29,-26.36,;-1.81,-26.83,;-.48,-26.05,;.86,-26.82,;2.19,-26.05,;.86,-28.36,;2.2,-29.13,;3.53,-28.35,;-.47,-29.13,;-.46,-30.67,;-1.79,-31.44,;-1.79,-32.98,;-.46,-33.75,;-.46,-35.29,;.88,-32.98,;.87,-31.43,;2.2,-30.65,;-1.8,-28.37,;-3.27,-28.86,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(11-24)21(16-8-5-14(22)9-18(16)23)27-20(25-12)10-19(26-27)13-3-6-15(28-2)7-4-13/h3-10H,11,24H2,1-2H3 | PDB
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| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323166
((5-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)-7-meth...)Show SMILES COc1cccc(c1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-10.78,-33.21,;-9.24,-33.19,;-8.48,-31.85,;-9.27,-30.51,;-8.51,-29.17,;-6.97,-29.16,;-6.19,-30.5,;-6.95,-31.83,;-4.65,-30.49,;-3.74,-31.73,;-2.27,-31.24,;-.94,-32,;.4,-31.23,;1.73,-32,;3.06,-31.22,;.39,-29.69,;1.72,-28.92,;-.95,-28.92,;-2.28,-29.7,;-3.75,-29.23,;-.93,-33.54,;-2.26,-34.31,;-2.26,-35.85,;-.93,-36.62,;-.93,-38.16,;.41,-35.85,;.41,-34.3,;1.74,-33.53,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(10-24)20(16-7-6-14(22)9-18(16)23)27-11-19(26-21(27)25-12)13-4-3-5-15(8-13)28-2/h3-9,11H,10,24H2,1-2H3 | PDB
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| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323174
((2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methy...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(16.35,-8.79,;15.02,-9.57,;13.69,-8.8,;12.35,-9.57,;10.88,-9.11,;9.98,-10.36,;10.9,-11.6,;12.36,-11.12,;13.69,-11.88,;15.03,-11.1,;16.36,-11.87,;17.69,-11.1,;13.7,-13.41,;12.37,-14.18,;12.37,-15.72,;13.71,-16.5,;13.71,-18.03,;15.04,-15.72,;15.04,-14.17,;16.37,-13.4,;8.44,-10.37,;7.67,-9.04,;6.13,-9.05,;5.37,-10.39,;6.15,-11.72,;7.69,-11.71,;8.47,-13.03,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-15(10-24)20(14-7-6-12(21)8-17(14)23)27-19(25-11)9-18(26-27)13-4-2-3-5-16(13)22/h2-9H,10,24H2,1H3 | PDB
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| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323164
((2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methy...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(22.47,-12.16,;21.14,-12.93,;19.8,-12.16,;18.47,-12.94,;17,-12.47,;16.1,-13.72,;17.01,-14.97,;18.48,-14.48,;19.81,-15.24,;21.14,-14.47,;22.48,-15.23,;23.81,-14.46,;19.82,-16.77,;18.49,-17.55,;18.49,-19.09,;19.82,-19.86,;19.82,-21.4,;21.16,-19.09,;21.16,-17.54,;22.49,-16.76,;14.56,-13.73,;13.78,-12.4,;12.24,-12.41,;11.48,-13.75,;9.94,-13.77,;12.27,-15.09,;13.8,-15.07,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(9-24)19(15-7-6-14(22)8-17(15)23)27-10-18(26-20(27)25-11)12-2-4-13(21)5-3-12/h2-8,10H,9,24H2,1H3 | PDB
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| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323164
((2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methy...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(22.47,-12.16,;21.14,-12.93,;19.8,-12.16,;18.47,-12.94,;17,-12.47,;16.1,-13.72,;17.01,-14.97,;18.48,-14.48,;19.81,-15.24,;21.14,-14.47,;22.48,-15.23,;23.81,-14.46,;19.82,-16.77,;18.49,-17.55,;18.49,-19.09,;19.82,-19.86,;19.82,-21.4,;21.16,-19.09,;21.16,-17.54,;22.49,-16.76,;14.56,-13.73,;13.78,-12.4,;12.24,-12.41,;11.48,-13.75,;9.94,-13.77,;12.27,-15.09,;13.8,-15.07,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(9-24)19(15-7-6-14(22)8-17(15)23)27-10-18(26-20(27)25-11)12-2-4-13(21)5-3-12/h2-8,10H,9,24H2,1H3 | PDB
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| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323180
((2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methy...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1 |(49.4,-30.31,;48.07,-31.08,;46.73,-30.31,;45.4,-31.09,;43.93,-30.62,;43.03,-31.88,;43.94,-33.12,;45.41,-32.63,;46.74,-33.39,;48.07,-32.62,;49.41,-33.39,;50.74,-32.61,;46.75,-34.93,;45.42,-35.7,;45.42,-37.24,;46.75,-38.01,;46.75,-39.55,;48.09,-37.24,;48.08,-35.69,;49.41,-34.91,;41.49,-31.89,;40.71,-30.56,;39.17,-30.57,;38.41,-31.9,;39.2,-33.24,;38.44,-34.58,;40.73,-33.22,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(10-24)20(15-6-5-14(22)8-17(15)23)27-19(25-11)9-18(26-27)12-3-2-4-13(21)7-12/h2-9H,10,24H2,1H3 | PDB
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| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323162
((2-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methy...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(39.17,3.9,;37.83,3.12,;36.5,3.89,;35.16,3.12,;33.69,3.58,;32.79,2.33,;33.71,1.09,;35.17,1.57,;36.5,.81,;37.84,1.58,;39.17,.82,;40.5,1.59,;36.51,-.72,;35.18,-1.49,;35.18,-3.04,;36.52,-3.81,;36.52,-5.35,;37.85,-3.04,;37.85,-1.49,;39.18,-.71,;31.25,2.32,;30.47,3.65,;28.94,3.64,;28.17,2.3,;28.96,.97,;30.5,.98,;31.28,-.34,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-15(9-24)19(14-7-6-12(21)8-17(14)23)27-10-18(26-20(27)25-11)13-4-2-3-5-16(13)22/h2-8,10H,9,24H2,1H3 | PDB
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| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323166
((5-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)-7-meth...)Show SMILES COc1cccc(c1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-10.78,-33.21,;-9.24,-33.19,;-8.48,-31.85,;-9.27,-30.51,;-8.51,-29.17,;-6.97,-29.16,;-6.19,-30.5,;-6.95,-31.83,;-4.65,-30.49,;-3.74,-31.73,;-2.27,-31.24,;-.94,-32,;.4,-31.23,;1.73,-32,;3.06,-31.22,;.39,-29.69,;1.72,-28.92,;-.95,-28.92,;-2.28,-29.7,;-3.75,-29.23,;-.93,-33.54,;-2.26,-34.31,;-2.26,-35.85,;-.93,-36.62,;-.93,-38.16,;.41,-35.85,;.41,-34.3,;1.74,-33.53,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(10-24)20(16-7-6-14(22)9-18(16)23)27-11-19(26-21(27)25-12)13-4-3-5-15(8-13)28-2/h3-9,11H,10,24H2,1-2H3 | PDB
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| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323177
((7-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-5-meth...)Show SMILES COc1ccc(cc1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-11.12,-26.33,;-10.34,-27.66,;-8.8,-27.64,;-8.04,-26.3,;-6.5,-26.29,;-5.73,-27.62,;-6.48,-28.96,;-8.01,-28.98,;-4.19,-27.61,;-3.29,-26.36,;-1.81,-26.83,;-.48,-26.05,;.86,-26.82,;2.19,-26.05,;.86,-28.36,;2.2,-29.13,;3.53,-28.35,;-.47,-29.13,;-.46,-30.67,;-1.79,-31.44,;-1.79,-32.98,;-.46,-33.75,;-.46,-35.29,;.88,-32.98,;.87,-31.43,;2.2,-30.65,;-1.8,-28.37,;-3.27,-28.86,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(11-24)21(16-8-5-14(22)9-18(16)23)27-20(25-12)10-19(26-27)13-3-6-15(28-2)7-4-13/h3-10H,11,24H2,1-2H3 | PDB
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| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323165
((5-(2,4-dichlorophenyl)-7-methyl-2-p-tolylimidazo[...)Show SMILES Cc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(27.16,-14.66,;28.7,-14.65,;29.46,-13.31,;31,-13.3,;31.78,-14.63,;31.03,-15.96,;29.49,-15.98,;33.32,-14.62,;34.24,-15.86,;35.7,-15.38,;37.03,-16.14,;38.37,-15.36,;39.7,-16.13,;41.03,-15.36,;38.36,-13.82,;39.69,-13.05,;37.03,-13.06,;35.69,-13.83,;34.22,-13.36,;37.04,-17.67,;35.71,-18.44,;35.71,-19.99,;37.05,-20.76,;37.04,-22.3,;38.38,-19.98,;38.38,-18.43,;39.71,-17.66,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-3-5-14(6-4-12)19-11-27-20(16-8-7-15(22)9-18(16)23)17(10-24)13(2)25-21(27)26-19/h3-9,11H,10,24H2,1-2H3 | PDB
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| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323173
((7-(2,4-dichlorophenyl)-5-methyl-2-o-tolylpyrazolo...)Show SMILES Cc1ccccc1-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-6.57,-12.99,;-7.36,-11.66,;-8.89,-11.68,;-9.68,-10.35,;-8.92,-9.01,;-7.38,-9,;-6.6,-10.33,;-5.06,-10.32,;-4.17,-9.06,;-2.69,-9.53,;-1.36,-8.76,;-.02,-9.52,;1.31,-8.75,;-.02,-11.06,;1.32,-11.83,;2.65,-11.06,;-1.35,-11.83,;-1.34,-13.37,;-2.67,-14.14,;-2.67,-15.68,;-1.34,-16.45,;-1.34,-17.99,;-0,-15.68,;-.01,-14.13,;1.32,-13.36,;-2.68,-11.07,;-4.15,-11.56,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-5-3-4-6-15(12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-8-7-14(22)9-18(16)23/h3-10H,11,24H2,1-2H3 | PDB
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| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323163
((2-(3-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methy...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1 |(2.01,-11.55,;.68,-12.32,;-.66,-11.55,;-1.99,-12.33,;-3.47,-11.86,;-4.36,-13.12,;-3.45,-14.36,;-1.98,-13.87,;-.65,-14.63,;.68,-13.86,;2.02,-14.63,;3.35,-13.86,;-.64,-16.17,;-1.97,-16.94,;-1.97,-18.48,;-.64,-19.25,;-.64,-20.79,;.7,-18.48,;.69,-16.93,;2.02,-16.16,;-5.9,-13.13,;-6.68,-11.8,;-8.22,-11.81,;-8.98,-13.15,;-8.19,-14.48,;-8.95,-15.82,;-6.66,-14.46,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(9-24)19(15-6-5-14(22)8-17(15)23)27-10-18(26-20(27)25-11)12-3-2-4-13(21)7-12/h2-8,10H,9,24H2,1H3 | PDB
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| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323176
((2-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methy...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(48.4,-10.78,;47.07,-11.56,;45.73,-10.79,;44.4,-11.56,;42.93,-11.1,;42.03,-12.35,;42.94,-13.59,;44.41,-13.11,;45.74,-13.87,;47.07,-13.09,;48.41,-13.86,;49.74,-13.09,;45.75,-15.4,;44.42,-16.17,;44.42,-17.72,;45.75,-18.49,;45.75,-20.03,;47.09,-17.71,;47.08,-16.16,;48.42,-15.39,;40.49,-12.36,;39.71,-11.03,;38.18,-11.04,;37.41,-12.38,;35.87,-12.39,;38.2,-13.71,;39.74,-13.7,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(10-24)20(15-7-6-14(22)8-17(15)23)27-19(25-11)9-18(26-27)12-2-4-13(21)5-3-12/h2-9H,10,24H2,1H3 | PDB
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| 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323174
((2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methy...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(16.35,-8.79,;15.02,-9.57,;13.69,-8.8,;12.35,-9.57,;10.88,-9.11,;9.98,-10.36,;10.9,-11.6,;12.36,-11.12,;13.69,-11.88,;15.03,-11.1,;16.36,-11.87,;17.69,-11.1,;13.7,-13.41,;12.37,-14.18,;12.37,-15.72,;13.71,-16.5,;13.71,-18.03,;15.04,-15.72,;15.04,-14.17,;16.37,-13.4,;8.44,-10.37,;7.67,-9.04,;6.13,-9.05,;5.37,-10.39,;6.15,-11.72,;7.69,-11.71,;8.47,-13.03,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-15(10-24)20(14-7-6-12(21)8-17(14)23)27-19(25-11)9-18(26-27)13-4-2-3-5-16(13)22/h2-9H,10,24H2,1H3 | PDB
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| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323173
((7-(2,4-dichlorophenyl)-5-methyl-2-o-tolylpyrazolo...)Show SMILES Cc1ccccc1-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-6.57,-12.99,;-7.36,-11.66,;-8.89,-11.68,;-9.68,-10.35,;-8.92,-9.01,;-7.38,-9,;-6.6,-10.33,;-5.06,-10.32,;-4.17,-9.06,;-2.69,-9.53,;-1.36,-8.76,;-.02,-9.52,;1.31,-8.75,;-.02,-11.06,;1.32,-11.83,;2.65,-11.06,;-1.35,-11.83,;-1.34,-13.37,;-2.67,-14.14,;-2.67,-15.68,;-1.34,-16.45,;-1.34,-17.99,;-0,-15.68,;-.01,-14.13,;1.32,-13.36,;-2.68,-11.07,;-4.15,-11.56,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-5-3-4-6-15(12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-8-7-14(22)9-18(16)23/h3-10H,11,24H2,1-2H3 | PDB
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| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323163
((2-(3-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methy...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1 |(2.01,-11.55,;.68,-12.32,;-.66,-11.55,;-1.99,-12.33,;-3.47,-11.86,;-4.36,-13.12,;-3.45,-14.36,;-1.98,-13.87,;-.65,-14.63,;.68,-13.86,;2.02,-14.63,;3.35,-13.86,;-.64,-16.17,;-1.97,-16.94,;-1.97,-18.48,;-.64,-19.25,;-.64,-20.79,;.7,-18.48,;.69,-16.93,;2.02,-16.16,;-5.9,-13.13,;-6.68,-11.8,;-8.22,-11.81,;-8.98,-13.15,;-8.19,-14.48,;-8.95,-15.82,;-6.66,-14.46,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(9-24)19(15-6-5-14(22)8-17(15)23)27-10-18(26-20(27)25-11)12-3-2-4-13(21)7-12/h2-8,10H,9,24H2,1H3 | PDB
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| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323168
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3 | PDB
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| 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323179
((7-(2,4-dichlorophenyl)-5-methyl-2-m-tolylpyrazolo...)Show SMILES Cc1cccc(c1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(22.14,-31.62,;22.89,-30.28,;22.11,-28.94,;22.87,-27.6,;24.41,-27.59,;25.18,-28.93,;24.43,-30.26,;26.72,-28.92,;27.62,-27.66,;29.09,-28.13,;30.43,-27.35,;31.77,-28.12,;33.1,-27.35,;31.77,-29.66,;33.11,-30.43,;34.44,-29.65,;30.44,-30.43,;30.45,-31.97,;29.12,-32.74,;29.12,-34.28,;30.45,-35.05,;30.45,-36.59,;31.79,-34.28,;31.78,-32.73,;33.11,-31.95,;29.1,-29.67,;27.64,-30.16,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-4-3-5-14(8-12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-7-6-15(22)9-18(16)23/h3-10H,11,24H2,1-2H3 | PDB
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| 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323162
((2-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methy...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(39.17,3.9,;37.83,3.12,;36.5,3.89,;35.16,3.12,;33.69,3.58,;32.79,2.33,;33.71,1.09,;35.17,1.57,;36.5,.81,;37.84,1.58,;39.17,.82,;40.5,1.59,;36.51,-.72,;35.18,-1.49,;35.18,-3.04,;36.52,-3.81,;36.52,-5.35,;37.85,-3.04,;37.85,-1.49,;39.18,-.71,;31.25,2.32,;30.47,3.65,;28.94,3.64,;28.17,2.3,;28.96,.97,;30.5,.98,;31.28,-.34,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-15(9-24)19(14-7-6-12(21)8-17(14)23)27-10-18(26-20(27)25-11)13-4-2-3-5-16(13)22/h2-8,10H,9,24H2,1H3 | PDB
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| 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323168
((5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-meth...)Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(31.42,-35.45,;32.17,-34.11,;31.39,-32.79,;29.85,-32.8,;29.07,-31.47,;29.83,-30.13,;31.37,-30.12,;32.15,-31.45,;33.68,-31.44,;34.6,-32.69,;36.07,-32.2,;37.4,-32.96,;38.73,-32.19,;40.07,-32.95,;41.4,-32.18,;38.73,-30.65,;40.06,-29.87,;37.39,-29.88,;36.06,-30.65,;34.58,-30.19,;37.41,-34.49,;36.08,-35.26,;36.08,-36.81,;37.41,-37.58,;37.41,-39.12,;38.75,-36.81,;38.74,-35.26,;40.07,-34.48,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323188
((7-(2,4-dichlorophenyl)-5-methyl-2-(pyrrolidin-1-y...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCCC1 |(43.1,-9.38,;41.77,-10.15,;40.43,-9.39,;39.1,-10.16,;37.62,-9.69,;36.73,-10.95,;37.64,-12.19,;39.11,-11.7,;40.44,-12.46,;41.77,-11.69,;43.11,-12.46,;44.44,-11.69,;40.45,-14,;39.12,-14.77,;39.12,-16.31,;40.45,-17.09,;40.45,-18.63,;41.79,-16.31,;41.78,-14.76,;43.11,-13.99,;35.19,-10.96,;34.28,-9.73,;32.81,-10.21,;32.83,-11.75,;34.29,-12.22,)| Show InChI InChI=1S/C17H18Cl2N6/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24-6-2-3-7-24/h4-5,8H,2-3,6-7,9,20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323184
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 |(43.09,4.27,;41.75,3.5,;40.42,4.26,;39.08,3.49,;37.61,3.96,;36.71,2.7,;37.63,1.46,;39.09,1.95,;40.42,1.19,;41.76,1.96,;43.09,1.19,;44.42,1.96,;40.43,-.35,;39.1,-1.12,;39.1,-2.66,;40.44,-3.44,;40.44,-4.98,;41.77,-2.66,;41.77,-1.11,;43.1,-.34,;35.17,2.69,;34.41,1.35,;34.39,4.02,;32.85,4.01,;32.07,5.33,;30.53,5.32,;29.77,3.98,;30.56,2.65,;32.09,2.67,)| Show InChI InChI=1S/C20H16Cl2N6O/c1-11-15(10-23)17(14-8-7-12(21)9-16(14)22)28-20(24-11)26-18(27-28)19(29)25-13-5-3-2-4-6-13/h2-9H,10,23H2,1H3,(H,25,29) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323178
((7-(2,4-dichlorophenyl)-5-methyl-2-p-tolylpyrazolo...)Show SMILES Cc1ccc(cc1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(5.3,-29.16,;6.84,-29.15,;7.6,-27.81,;9.14,-27.8,;9.91,-29.13,;9.16,-30.46,;7.62,-30.48,;11.45,-29.12,;12.35,-27.86,;13.82,-28.33,;15.16,-27.56,;16.5,-28.32,;17.83,-27.55,;16.5,-29.86,;17.83,-30.63,;19.17,-29.86,;15.16,-30.63,;15.18,-32.17,;13.85,-32.94,;13.84,-34.48,;15.18,-35.25,;15.18,-36.79,;16.52,-34.48,;16.51,-32.93,;17.84,-32.16,;13.83,-29.87,;12.37,-30.36,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-3-5-14(6-4-12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-8-7-15(22)9-18(16)23/h3-10H,11,24H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323179
((7-(2,4-dichlorophenyl)-5-methyl-2-m-tolylpyrazolo...)Show SMILES Cc1cccc(c1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(22.14,-31.62,;22.89,-30.28,;22.11,-28.94,;22.87,-27.6,;24.41,-27.59,;25.18,-28.93,;24.43,-30.26,;26.72,-28.92,;27.62,-27.66,;29.09,-28.13,;30.43,-27.35,;31.77,-28.12,;33.1,-27.35,;31.77,-29.66,;33.11,-30.43,;34.44,-29.65,;30.44,-30.43,;30.45,-31.97,;29.12,-32.74,;29.12,-34.28,;30.45,-35.05,;30.45,-36.59,;31.79,-34.28,;31.78,-32.73,;33.11,-31.95,;29.1,-29.67,;27.64,-30.16,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-4-3-5-14(8-12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-7-6-15(22)9-18(16)23/h3-10H,11,24H2,1-2H3 | PDB
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| 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323184
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 |(43.09,4.27,;41.75,3.5,;40.42,4.26,;39.08,3.49,;37.61,3.96,;36.71,2.7,;37.63,1.46,;39.09,1.95,;40.42,1.19,;41.76,1.96,;43.09,1.19,;44.42,1.96,;40.43,-.35,;39.1,-1.12,;39.1,-2.66,;40.44,-3.44,;40.44,-4.98,;41.77,-2.66,;41.77,-1.11,;43.1,-.34,;35.17,2.69,;34.41,1.35,;34.39,4.02,;32.85,4.01,;32.07,5.33,;30.53,5.32,;29.77,3.98,;30.56,2.65,;32.09,2.67,)| Show InChI InChI=1S/C20H16Cl2N6O/c1-11-15(10-23)17(14-8-7-12(21)9-16(14)22)28-20(24-11)26-18(27-28)19(29)25-13-5-3-2-4-6-13/h2-9H,10,23H2,1H3,(H,25,29) | PDB
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| 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323180
((2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methy...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1 |(49.4,-30.31,;48.07,-31.08,;46.73,-30.31,;45.4,-31.09,;43.93,-30.62,;43.03,-31.88,;43.94,-33.12,;45.41,-32.63,;46.74,-33.39,;48.07,-32.62,;49.41,-33.39,;50.74,-32.61,;46.75,-34.93,;45.42,-35.7,;45.42,-37.24,;46.75,-38.01,;46.75,-39.55,;48.09,-37.24,;48.08,-35.69,;49.41,-34.91,;41.49,-31.89,;40.71,-30.56,;39.17,-30.57,;38.41,-31.9,;39.2,-33.24,;38.44,-34.58,;40.73,-33.22,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(10-24)20(15-6-5-14(22)8-17(15)23)27-19(25-11)9-18(26-27)12-3-2-4-13(21)7-12/h2-9H,10,24H2,1H3 | PDB
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| 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323171
((7-(2,4-dichlorophenyl)-5-methyl-2-phenylpyrazolo[...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(32.22,5.03,;30.89,4.26,;29.56,5.02,;28.22,4.25,;26.75,4.72,;25.85,3.46,;26.77,2.22,;28.23,2.71,;29.56,1.95,;30.9,2.72,;32.23,1.95,;33.56,2.72,;29.57,.41,;28.25,-.36,;28.24,-1.9,;29.58,-2.67,;29.58,-4.21,;30.91,-1.9,;30.91,-.35,;32.24,.42,;24.31,3.45,;23.54,4.78,;22,4.77,;21.24,3.43,;22.02,2.1,;23.56,2.12,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(11-23)20(15-8-7-14(21)9-17(15)22)26-19(24-12)10-18(25-26)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3 | PDB
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| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323186
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-ethyl-N,5...)Show SMILES CCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(4.01,-11.98,;5.55,-11.97,;6.31,-10.63,;5.54,-9.3,;7.85,-10.62,;8.75,-9.37,;10.23,-9.83,;11.56,-9.06,;12.9,-9.83,;14.23,-9.05,;12.9,-11.37,;14.24,-12.13,;15.57,-11.36,;11.57,-12.14,;11.58,-13.67,;10.25,-14.44,;10.25,-15.99,;11.58,-16.76,;11.58,-18.3,;12.92,-15.99,;12.91,-14.44,;14.24,-13.66,;10.24,-11.38,;8.77,-11.86,)| Show InChI InChI=1S/C16H18Cl2N6/c1-4-23(3)16-21-15-20-9(2)12(8-19)14(24(15)22-16)11-6-5-10(17)7-13(11)18/h5-7H,4,8,19H2,1-3H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323161
((5-(2,4-dichlorophenyl)-7-methyl-2-phenylimidazo[1...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-17(15)22)26-11-18(25-20(26)24-12)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323192
((7-(2,4-dichlorophenyl)-5-methyl-2-(piperazin-1-yl...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCNCC1 |(9.44,-38.95,;8.11,-39.72,;6.77,-38.96,;5.43,-39.73,;3.96,-39.26,;3.06,-40.52,;3.98,-41.76,;5.44,-41.28,;6.78,-42.04,;8.11,-41.26,;9.45,-42.03,;10.78,-41.26,;6.79,-43.57,;5.46,-44.34,;5.46,-45.89,;6.79,-46.66,;6.79,-48.2,;8.13,-45.88,;8.12,-44.33,;9.45,-43.56,;1.52,-40.53,;.75,-39.2,;-.79,-39.21,;-1.55,-40.55,;-.77,-41.88,;.77,-41.86,)| Show InChI InChI=1S/C17H19Cl2N7/c1-10-13(9-20)15(12-3-2-11(18)8-14(12)19)26-16(22-10)23-17(24-26)25-6-4-21-5-7-25/h2-3,8,21H,4-7,9,20H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323169
((7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a...)Show SMILES Cc1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-8.28,2.56,;-6.74,2.57,;-5.84,3.82,;-4.37,3.36,;-3.04,4.13,;-1.7,3.36,;-.37,4.14,;-1.7,1.82,;-.36,1.06,;.97,1.83,;-3.03,1.05,;-3.02,-.48,;-4.35,-1.25,;-4.35,-2.8,;-3.02,-3.57,;-3.02,-5.1,;-1.68,-2.79,;-1.69,-1.24,;-.36,-.47,;-4.36,1.81,;-5.82,1.33,)| Show InChI InChI=1S/C15H14Cl2N4/c1-8-5-14-19-9(2)12(7-18)15(21(14)20-8)11-4-3-10(16)6-13(11)17/h3-6H,7,18H2,1-2H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323185
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N,N-diethyl...)Show SMILES CCN(CC)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-9.42,-8.67,;-7.88,-8.66,;-7.1,-9.99,;-7.86,-11.33,;-9.4,-11.34,;-5.56,-9.98,;-4.66,-8.72,;-3.19,-9.19,;-1.86,-8.41,;-.52,-9.18,;.81,-8.41,;-.51,-10.72,;.82,-11.49,;2.15,-10.71,;-1.85,-11.49,;-1.84,-13.03,;-3.17,-13.8,;-3.17,-15.34,;-1.84,-16.11,;-1.84,-17.65,;-.5,-15.34,;-.5,-13.79,;.83,-13.02,;-3.18,-10.73,;-4.65,-11.22,)| Show InChI InChI=1S/C17H20Cl2N6/c1-4-24(5-2)17-22-16-21-10(3)13(9-20)15(25(16)23-17)12-7-6-11(18)8-14(12)19/h6-8H,4-5,9,20H2,1-3H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323182
((7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]t...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(12.82,5.09,;11.49,4.32,;10.15,5.09,;8.82,4.31,;7.35,4.78,;6.45,3.53,;7.36,2.28,;8.83,2.77,;10.16,2.01,;11.49,2.78,;12.83,2.02,;14.16,2.79,;10.17,.48,;8.84,-.3,;8.84,-1.84,;10.17,-2.61,;10.17,-4.15,;11.51,-1.84,;11.5,-.29,;12.84,.49,;4.91,3.52,;4.13,4.85,;2.59,4.84,;1.83,3.5,;2.62,2.16,;4.15,2.18,)| Show InChI InChI=1S/C19H15Cl2N5/c1-11-15(10-22)17(14-8-7-13(20)9-16(14)21)26-19(23-11)24-18(25-26)12-5-3-2-4-6-12/h2-9H,10,22H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323183
(CHEMBL1209683 | methyl 6-(aminomethyl)-7-(2,4-dich...)Show SMILES COC(=O)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(16.94,4.65,;18.48,4.66,;19.26,3.33,;18.5,1.99,;20.8,3.34,;21.7,4.59,;23.17,4.13,;24.5,4.9,;25.84,4.13,;27.17,4.91,;25.84,2.6,;27.18,1.83,;28.51,2.6,;24.51,1.82,;24.52,.29,;23.19,-.48,;23.19,-2.03,;24.52,-2.8,;24.52,-4.34,;25.86,-2.03,;25.85,-.48,;27.19,.3,;23.18,2.58,;21.71,2.1,)| Show InChI InChI=1S/C15H13Cl2N5O2/c1-7-10(6-18)12(9-4-3-8(16)5-11(9)17)22-15(19-7)20-13(21-22)14(23)24-2/h3-5H,6,18H2,1-2H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323187
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methox...)Show SMILES COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(17.71,-13.96,;19.25,-13.95,;20.01,-12.61,;21.55,-12.6,;22.31,-11.26,;21.53,-9.93,;23.85,-11.25,;24.75,-10,;26.22,-10.46,;27.56,-9.69,;28.9,-10.46,;30.23,-9.68,;28.9,-12,;30.24,-12.76,;31.57,-11.99,;27.57,-12.77,;27.58,-14.3,;26.25,-15.07,;26.25,-16.62,;27.58,-17.39,;27.58,-18.93,;28.92,-16.62,;28.91,-15.07,;30.24,-14.29,;26.23,-12.01,;24.77,-12.49,)| Show InChI InChI=1S/C17H20Cl2N6O/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24(2)6-7-26-3/h4-5,8H,6-7,9,20H2,1-3H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323170
((7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[...)Show SMILES Cc1nc2c(cnn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(17.35,3.69,;16.02,2.91,;14.68,3.68,;13.35,2.91,;11.88,3.37,;10.98,2.12,;11.89,.88,;13.36,1.36,;14.69,.6,;16.02,1.38,;17.36,.61,;18.69,1.38,;14.7,-.93,;13.37,-1.7,;13.37,-3.25,;14.7,-4.02,;14.7,-5.56,;16.04,-3.25,;16.04,-1.7,;17.37,-.92,;11.08,4.69,;11.83,6.04,;11.03,7.35,;9.49,7.32,;8.75,5.97,;9.55,4.65,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-18(15)22)26-20(25-12)17(11-24-26)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323172
(1-(6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl...)Show SMILES CCC(=O)c1cnn2c(c(CN)c(C)nc12)-c1ccc(Cl)cc1Cl |(35.55,5.03,;36.03,3.57,;37.54,3.26,;38.56,4.42,;38.03,1.8,;37.12,.54,;38.05,-.7,;39.51,-.21,;40.84,-.97,;42.18,-.2,;43.51,-.96,;44.84,-.19,;42.17,1.34,;43.51,2.12,;40.84,2.11,;39.5,1.34,;40.85,-2.5,;39.52,-3.27,;39.52,-4.82,;40.86,-5.59,;40.86,-7.13,;42.19,-4.82,;42.19,-3.27,;43.52,-2.49,)| Show InChI InChI=1S/C17H16Cl2N4O/c1-3-15(24)13-8-21-23-16(11-5-4-10(18)6-14(11)19)12(7-20)9(2)22-17(13)23/h4-6,8H,3,7,20H2,1-2H3 | PDB
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323161
((5-(2,4-dichlorophenyl)-7-methyl-2-phenylimidazo[1...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-17(15)22)26-11-18(25-20(26)24-12)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323188
((7-(2,4-dichlorophenyl)-5-methyl-2-(pyrrolidin-1-y...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCCC1 |(43.1,-9.38,;41.77,-10.15,;40.43,-9.39,;39.1,-10.16,;37.62,-9.69,;36.73,-10.95,;37.64,-12.19,;39.11,-11.7,;40.44,-12.46,;41.77,-11.69,;43.11,-12.46,;44.44,-11.69,;40.45,-14,;39.12,-14.77,;39.12,-16.31,;40.45,-17.09,;40.45,-18.63,;41.79,-16.31,;41.78,-14.76,;43.11,-13.99,;35.19,-10.96,;34.28,-9.73,;32.81,-10.21,;32.83,-11.75,;34.29,-12.22,)| Show InChI InChI=1S/C17H18Cl2N6/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24-6-2-3-7-24/h4-5,8H,2-3,6-7,9,20H2,1H3 | PDB
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323171
((7-(2,4-dichlorophenyl)-5-methyl-2-phenylpyrazolo[...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(32.22,5.03,;30.89,4.26,;29.56,5.02,;28.22,4.25,;26.75,4.72,;25.85,3.46,;26.77,2.22,;28.23,2.71,;29.56,1.95,;30.9,2.72,;32.23,1.95,;33.56,2.72,;29.57,.41,;28.25,-.36,;28.24,-1.9,;29.58,-2.67,;29.58,-4.21,;30.91,-1.9,;30.91,-.35,;32.24,.42,;24.31,3.45,;23.54,4.78,;22,4.77,;21.24,3.43,;22.02,2.1,;23.56,2.12,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(11-23)20(15-8-7-14(21)9-17(15)22)26-19(24-12)10-18(25-26)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323190
((7-(2,4-dichlorophenyl)-5-methyl-2-thiomorpholino-...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCSCC1 |(18.45,-25.01,;17.12,-25.78,;15.79,-25.01,;14.45,-25.79,;12.98,-25.32,;12.08,-26.58,;12.99,-27.82,;14.46,-27.33,;15.79,-28.09,;17.13,-27.32,;18.46,-28.09,;19.79,-27.31,;15.8,-29.63,;14.47,-30.4,;14.47,-31.94,;15.81,-32.71,;15.8,-34.25,;17.14,-31.94,;17.14,-30.39,;18.47,-29.62,;10.54,-26.59,;9.76,-25.25,;8.22,-25.26,;7.46,-26.6,;8.25,-27.94,;9.78,-27.92,)| Show InChI InChI=1S/C17H18Cl2N6S/c1-10-13(9-20)15(12-3-2-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24-4-6-26-7-5-24/h2-3,8H,4-7,9,20H2,1H3 | PDB
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323193
((5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyri...)Show SMILES Cc1nc2nccn2c(c1CN)-c1ccc(Cl)cc1Cl |(-.84,5.36,;-2.17,4.59,;-3.5,5.36,;-4.84,4.58,;-6.31,5.05,;-7.21,3.8,;-6.29,2.55,;-4.83,3.04,;-3.5,2.28,;-2.16,3.05,;-.83,2.29,;.5,3.06,;-3.49,.75,;-4.81,-.02,;-4.82,-1.57,;-3.48,-2.34,;-3.48,-3.88,;-2.15,-1.57,;-2.15,-.02,;-.82,.76,)| Show InChI InChI=1S/C14H12Cl2N4/c1-8-11(7-17)13(20-5-4-18-14(20)19-8)10-3-2-9(15)6-12(10)16/h2-6H,7,17H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323170
((7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[...)Show SMILES Cc1nc2c(cnn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(17.35,3.69,;16.02,2.91,;14.68,3.68,;13.35,2.91,;11.88,3.37,;10.98,2.12,;11.89,.88,;13.36,1.36,;14.69,.6,;16.02,1.38,;17.36,.61,;18.69,1.38,;14.7,-.93,;13.37,-1.7,;13.37,-3.25,;14.7,-4.02,;14.7,-5.56,;16.04,-3.25,;16.04,-1.7,;17.37,-.92,;11.08,4.69,;11.83,6.04,;11.03,7.35,;9.49,7.32,;8.75,5.97,;9.55,4.65,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-18(15)22)26-20(25-12)17(11-24-26)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323176
((2-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methy...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(48.4,-10.78,;47.07,-11.56,;45.73,-10.79,;44.4,-11.56,;42.93,-11.1,;42.03,-12.35,;42.94,-13.59,;44.41,-13.11,;45.74,-13.87,;47.07,-13.09,;48.41,-13.86,;49.74,-13.09,;45.75,-15.4,;44.42,-16.17,;44.42,-17.72,;45.75,-18.49,;45.75,-20.03,;47.09,-17.71,;47.08,-16.16,;48.42,-15.39,;40.49,-12.36,;39.71,-11.03,;38.18,-11.04,;37.41,-12.38,;35.87,-12.39,;38.2,-13.71,;39.74,-13.7,)| Show InChI InChI=1S/C20H15Cl3N4/c1-11-16(10-24)20(15-7-6-14(22)8-17(15)23)27-19(25-11)9-18(26-27)12-2-4-13(21)5-3-12/h2-9H,10,24H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323192
((7-(2,4-dichlorophenyl)-5-methyl-2-(piperazin-1-yl...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCNCC1 |(9.44,-38.95,;8.11,-39.72,;6.77,-38.96,;5.43,-39.73,;3.96,-39.26,;3.06,-40.52,;3.98,-41.76,;5.44,-41.28,;6.78,-42.04,;8.11,-41.26,;9.45,-42.03,;10.78,-41.26,;6.79,-43.57,;5.46,-44.34,;5.46,-45.89,;6.79,-46.66,;6.79,-48.2,;8.13,-45.88,;8.12,-44.33,;9.45,-43.56,;1.52,-40.53,;.75,-39.2,;-.79,-39.21,;-1.55,-40.55,;-.77,-41.88,;.77,-41.86,)| Show InChI InChI=1S/C17H19Cl2N7/c1-10-13(9-20)15(12-3-2-11(18)8-14(12)19)26-16(22-10)23-17(24-26)25-6-4-21-5-7-25/h2-3,8,21H,4-7,9,20H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323172
(1-(6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl...)Show SMILES CCC(=O)c1cnn2c(c(CN)c(C)nc12)-c1ccc(Cl)cc1Cl |(35.55,5.03,;36.03,3.57,;37.54,3.26,;38.56,4.42,;38.03,1.8,;37.12,.54,;38.05,-.7,;39.51,-.21,;40.84,-.97,;42.18,-.2,;43.51,-.96,;44.84,-.19,;42.17,1.34,;43.51,2.12,;40.84,2.11,;39.5,1.34,;40.85,-2.5,;39.52,-3.27,;39.52,-4.82,;40.86,-5.59,;40.86,-7.13,;42.19,-4.82,;42.19,-3.27,;43.52,-2.49,)| Show InChI InChI=1S/C17H16Cl2N4O/c1-3-15(24)13-8-21-23-16(11-5-4-10(18)6-14(11)19)12(7-20)9(2)22-17(13)23/h4-6,8H,3,7,20H2,1-2H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323175
((7-(2,4-dichlorophenyl)-2-(furan-2-yl)-5-methylpyr...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccco1 |(32.7,-8.42,;31.37,-9.2,;30.03,-8.43,;28.7,-9.2,;27.23,-8.74,;26.33,-9.99,;27.24,-11.23,;28.71,-10.75,;30.04,-11.51,;31.37,-10.74,;32.71,-11.5,;34.04,-10.73,;30.05,-13.04,;28.72,-13.81,;28.72,-15.36,;30.05,-16.13,;30.05,-17.67,;31.39,-15.36,;31.38,-13.81,;32.72,-13.03,;24.79,-10,;23.87,-8.77,;22.41,-9.26,;22.42,-10.8,;23.89,-11.26,)| Show InChI InChI=1S/C18H14Cl2N4O/c1-10-13(9-21)18(12-5-4-11(19)7-14(12)20)24-17(22-10)8-15(23-24)16-3-2-6-25-16/h2-8H,9,21H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323181
((7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazo...)Show SMILES Cc1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-9.97,3.4,;-8.43,3.41,;-7.54,4.67,;-6.07,4.2,;-4.73,4.98,;-3.39,4.21,;-2.06,4.98,;-3.39,2.67,;-2.06,1.91,;-.73,2.68,;-4.73,1.91,;-4.73,.37,;-6.04,-.4,;-6.04,-1.95,;-4.71,-2.72,;-4.71,-4.26,;-3.37,-1.95,;-3.4,-.4,;-2.06,.37,;-6.06,2.66,;-7.52,2.17,)| Show InChI InChI=1S/C14H13Cl2N5/c1-7-11(6-17)13(10-4-3-9(15)5-12(10)16)21-14(18-7)19-8(2)20-21/h3-5H,6,17H2,1-2H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323189
((7-(2,4-dichlorophenyl)-5-methyl-2-morpholino-[1,2...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCOCC1 |(1.61,-23.89,;.28,-24.66,;-1.05,-23.9,;-2.39,-24.67,;-3.86,-24.2,;-4.76,-25.46,;-3.84,-26.7,;-2.38,-26.22,;-1.05,-26.98,;.29,-26.2,;1.62,-26.97,;2.95,-26.2,;-1.04,-28.51,;-2.37,-29.28,;-2.37,-30.83,;-1.03,-31.6,;-1.04,-33.14,;.3,-30.82,;.3,-29.27,;1.63,-28.5,;-6.3,-25.47,;-7.08,-24.14,;-8.62,-24.15,;-9.38,-25.49,;-8.59,-26.82,;-7.05,-26.8,)| Show InChI InChI=1S/C17H18Cl2N6O/c1-10-13(9-20)15(12-3-2-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24-4-6-26-7-5-24/h2-3,8H,4-7,9,20H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323178
((7-(2,4-dichlorophenyl)-5-methyl-2-p-tolylpyrazolo...)Show SMILES Cc1ccc(cc1)-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(5.3,-29.16,;6.84,-29.15,;7.6,-27.81,;9.14,-27.8,;9.91,-29.13,;9.16,-30.46,;7.62,-30.48,;11.45,-29.12,;12.35,-27.86,;13.82,-28.33,;15.16,-27.56,;16.5,-28.32,;17.83,-27.55,;16.5,-29.86,;17.83,-30.63,;19.17,-29.86,;15.16,-30.63,;15.18,-32.17,;13.85,-32.94,;13.84,-34.48,;15.18,-35.25,;15.18,-36.79,;16.52,-34.48,;16.51,-32.93,;17.84,-32.16,;13.83,-29.87,;12.37,-30.36,)| Show InChI InChI=1S/C21H18Cl2N4/c1-12-3-5-14(6-4-12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-8-7-15(22)9-18(16)23/h3-10H,11,24H2,1-2H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323183
(CHEMBL1209683 | methyl 6-(aminomethyl)-7-(2,4-dich...)Show SMILES COC(=O)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(16.94,4.65,;18.48,4.66,;19.26,3.33,;18.5,1.99,;20.8,3.34,;21.7,4.59,;23.17,4.13,;24.5,4.9,;25.84,4.13,;27.17,4.91,;25.84,2.6,;27.18,1.83,;28.51,2.6,;24.51,1.82,;24.52,.29,;23.19,-.48,;23.19,-2.03,;24.52,-2.8,;24.52,-4.34,;25.86,-2.03,;25.85,-.48,;27.19,.3,;23.18,2.58,;21.71,2.1,)| Show InChI InChI=1S/C15H13Cl2N5O2/c1-7-10(6-18)12(9-4-3-8(16)5-11(9)17)22-15(19-7)20-13(21-22)14(23)24-2/h3-5H,6,18H2,1-2H3 | PDB
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323169
((7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a...)Show SMILES Cc1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-8.28,2.56,;-6.74,2.57,;-5.84,3.82,;-4.37,3.36,;-3.04,4.13,;-1.7,3.36,;-.37,4.14,;-1.7,1.82,;-.36,1.06,;.97,1.83,;-3.03,1.05,;-3.02,-.48,;-4.35,-1.25,;-4.35,-2.8,;-3.02,-3.57,;-3.02,-5.1,;-1.68,-2.79,;-1.69,-1.24,;-.36,-.47,;-4.36,1.81,;-5.82,1.33,)| Show InChI InChI=1S/C15H14Cl2N4/c1-8-5-14-19-9(2)12(7-18)15(21(14)20-8)11-4-3-10(16)6-13(11)17/h3-6H,7,18H2,1-2H3 | PDB
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323191
(CHEMBL1209850 | tert-butyl 4-(6-(aminomethyl)-7-(2...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCN(CC1)C(=O)OC(C)(C)C |(40.71,-27.16,;39.38,-27.93,;38.04,-27.17,;36.71,-27.94,;35.24,-27.47,;34.34,-28.73,;35.25,-29.97,;36.72,-29.48,;38.05,-30.24,;39.39,-29.47,;40.72,-30.24,;42.05,-29.47,;38.06,-31.78,;36.73,-32.55,;36.73,-34.09,;38.06,-34.87,;38.06,-36.41,;39.4,-34.09,;39.4,-32.54,;40.73,-31.77,;32.8,-28.74,;32.02,-27.41,;30.48,-27.42,;29.72,-28.76,;30.51,-30.09,;32.04,-30.07,;28.18,-28.77,;27.42,-30.11,;27.4,-27.44,;25.86,-27.45,;25.08,-26.13,;25.1,-28.79,;24.31,-27.44,)| Show InChI InChI=1S/C22H27Cl2N7O2/c1-13-16(12-25)18(15-6-5-14(23)11-17(15)24)31-19(26-13)27-20(28-31)29-7-9-30(10-8-29)21(32)33-22(2,3)4/h5-6,11H,7-10,12,25H2,1-4H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323193
((5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyri...)Show SMILES Cc1nc2nccn2c(c1CN)-c1ccc(Cl)cc1Cl |(-.84,5.36,;-2.17,4.59,;-3.5,5.36,;-4.84,4.58,;-6.31,5.05,;-7.21,3.8,;-6.29,2.55,;-4.83,3.04,;-3.5,2.28,;-2.16,3.05,;-.83,2.29,;.5,3.06,;-3.49,.75,;-4.81,-.02,;-4.82,-1.57,;-3.48,-2.34,;-3.48,-3.88,;-2.15,-1.57,;-2.15,-.02,;-.82,.76,)| Show InChI InChI=1S/C14H12Cl2N4/c1-8-11(7-17)13(20-5-4-18-14(20)19-8)10-3-2-9(15)6-12(10)16/h2-6H,7,17H2,1H3 | PDB
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323181
((7-(2,4-dichlorophenyl)-2,5-dimethyl-[1,2,4]triazo...)Show SMILES Cc1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-9.97,3.4,;-8.43,3.41,;-7.54,4.67,;-6.07,4.2,;-4.73,4.98,;-3.39,4.21,;-2.06,4.98,;-3.39,2.67,;-2.06,1.91,;-.73,2.68,;-4.73,1.91,;-4.73,.37,;-6.04,-.4,;-6.04,-1.95,;-4.71,-2.72,;-4.71,-4.26,;-3.37,-1.95,;-3.4,-.4,;-2.06,.37,;-6.06,2.66,;-7.52,2.17,)| Show InChI InChI=1S/C14H13Cl2N5/c1-7-11(6-17)13(10-4-3-9(15)5-12(10)16)21-14(18-7)19-8(2)20-21/h3-5H,6,17H2,1-2H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323182
((7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]t...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(12.82,5.09,;11.49,4.32,;10.15,5.09,;8.82,4.31,;7.35,4.78,;6.45,3.53,;7.36,2.28,;8.83,2.77,;10.16,2.01,;11.49,2.78,;12.83,2.02,;14.16,2.79,;10.17,.48,;8.84,-.3,;8.84,-1.84,;10.17,-2.61,;10.17,-4.15,;11.51,-1.84,;11.5,-.29,;12.84,.49,;4.91,3.52,;4.13,4.85,;2.59,4.84,;1.83,3.5,;2.62,2.16,;4.15,2.18,)| Show InChI InChI=1S/C19H15Cl2N5/c1-11-15(10-22)17(14-8-7-13(20)9-16(14)21)26-19(23-11)24-18(25-26)12-5-3-2-4-6-12/h2-9H,10,22H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323186
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-ethyl-N,5...)Show SMILES CCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(4.01,-11.98,;5.55,-11.97,;6.31,-10.63,;5.54,-9.3,;7.85,-10.62,;8.75,-9.37,;10.23,-9.83,;11.56,-9.06,;12.9,-9.83,;14.23,-9.05,;12.9,-11.37,;14.24,-12.13,;15.57,-11.36,;11.57,-12.14,;11.58,-13.67,;10.25,-14.44,;10.25,-15.99,;11.58,-16.76,;11.58,-18.3,;12.92,-15.99,;12.91,-14.44,;14.24,-13.66,;10.24,-11.38,;8.77,-11.86,)| Show InChI InChI=1S/C16H18Cl2N6/c1-4-23(3)16-21-15-20-9(2)12(8-19)14(24(15)22-16)11-6-5-10(17)7-13(11)18/h5-7H,4,8,19H2,1-3H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323187
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methox...)Show SMILES COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(17.71,-13.96,;19.25,-13.95,;20.01,-12.61,;21.55,-12.6,;22.31,-11.26,;21.53,-9.93,;23.85,-11.25,;24.75,-10,;26.22,-10.46,;27.56,-9.69,;28.9,-10.46,;30.23,-9.68,;28.9,-12,;30.24,-12.76,;31.57,-11.99,;27.57,-12.77,;27.58,-14.3,;26.25,-15.07,;26.25,-16.62,;27.58,-17.39,;27.58,-18.93,;28.92,-16.62,;28.91,-15.07,;30.24,-14.29,;26.23,-12.01,;24.77,-12.49,)| Show InChI InChI=1S/C17H20Cl2N6O/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24(2)6-7-26-3/h4-5,8H,6-7,9,20H2,1-3H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323185
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N,N-diethyl...)Show SMILES CCN(CC)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-9.42,-8.67,;-7.88,-8.66,;-7.1,-9.99,;-7.86,-11.33,;-9.4,-11.34,;-5.56,-9.98,;-4.66,-8.72,;-3.19,-9.19,;-1.86,-8.41,;-.52,-9.18,;.81,-8.41,;-.51,-10.72,;.82,-11.49,;2.15,-10.71,;-1.85,-11.49,;-1.84,-13.03,;-3.17,-13.8,;-3.17,-15.34,;-1.84,-16.11,;-1.84,-17.65,;-.5,-15.34,;-.5,-13.79,;.83,-13.02,;-3.18,-10.73,;-4.65,-11.22,)| Show InChI InChI=1S/C17H20Cl2N6/c1-4-24(5-2)17-22-16-21-10(3)13(9-20)15(25(16)23-17)12-7-6-11(18)8-14(12)19/h6-8H,4-5,9,20H2,1-3H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50323190
((7-(2,4-dichlorophenyl)-5-methyl-2-thiomorpholino-...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCSCC1 |(18.45,-25.01,;17.12,-25.78,;15.79,-25.01,;14.45,-25.79,;12.98,-25.32,;12.08,-26.58,;12.99,-27.82,;14.46,-27.33,;15.79,-28.09,;17.13,-27.32,;18.46,-28.09,;19.79,-27.31,;15.8,-29.63,;14.47,-30.4,;14.47,-31.94,;15.81,-32.71,;15.8,-34.25,;17.14,-31.94,;17.14,-30.39,;18.47,-29.62,;10.54,-26.59,;9.76,-25.25,;8.22,-25.26,;7.46,-26.6,;8.25,-27.94,;9.78,-27.92,)| Show InChI InChI=1S/C17H18Cl2N6S/c1-10-13(9-20)15(12-3-2-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24-4-6-26-7-5-24/h2-3,8H,4-7,9,20H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP89 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323175
((7-(2,4-dichlorophenyl)-2-(furan-2-yl)-5-methylpyr...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccco1 |(32.7,-8.42,;31.37,-9.2,;30.03,-8.43,;28.7,-9.2,;27.23,-8.74,;26.33,-9.99,;27.24,-11.23,;28.71,-10.75,;30.04,-11.51,;31.37,-10.74,;32.71,-11.5,;34.04,-10.73,;30.05,-13.04,;28.72,-13.81,;28.72,-15.36,;30.05,-16.13,;30.05,-17.67,;31.39,-15.36,;31.38,-13.81,;32.72,-13.03,;24.79,-10,;23.87,-8.77,;22.41,-9.26,;22.42,-10.8,;23.89,-11.26,)| Show InChI InChI=1S/C18H14Cl2N4O/c1-10-13(9-21)18(12-5-4-11(19)7-14(12)20)24-17(22-10)8-15(23-24)16-3-2-6-25-16/h2-8H,9,21H2,1H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323191
(CHEMBL1209850 | tert-butyl 4-(6-(aminomethyl)-7-(2...)Show SMILES Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCN(CC1)C(=O)OC(C)(C)C |(40.71,-27.16,;39.38,-27.93,;38.04,-27.17,;36.71,-27.94,;35.24,-27.47,;34.34,-28.73,;35.25,-29.97,;36.72,-29.48,;38.05,-30.24,;39.39,-29.47,;40.72,-30.24,;42.05,-29.47,;38.06,-31.78,;36.73,-32.55,;36.73,-34.09,;38.06,-34.87,;38.06,-36.41,;39.4,-34.09,;39.4,-32.54,;40.73,-31.77,;32.8,-28.74,;32.02,-27.41,;30.48,-27.42,;29.72,-28.76,;30.51,-30.09,;32.04,-30.07,;28.18,-28.77,;27.42,-30.11,;27.4,-27.44,;25.86,-27.45,;25.08,-26.13,;25.1,-28.79,;24.31,-27.44,)| Show InChI InChI=1S/C22H27Cl2N7O2/c1-13-16(12-25)18(15-6-5-14(23)11-17(15)24)31-19(26-13)27-20(28-31)29-7-9-30(10-8-29)21(32)33-22(2,3)4/h5-6,11H,7-10,12,25H2,1-4H3 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50323161
((5-(2,4-dichlorophenyl)-7-methyl-2-phenylimidazo[1...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-17(15)22)26-11-18(25-20(26)24-12)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
MMDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50323171
((7-(2,4-dichlorophenyl)-5-methyl-2-phenylpyrazolo[...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(32.22,5.03,;30.89,4.26,;29.56,5.02,;28.22,4.25,;26.75,4.72,;25.85,3.46,;26.77,2.22,;28.23,2.71,;29.56,1.95,;30.9,2.72,;32.23,1.95,;33.56,2.72,;29.57,.41,;28.25,-.36,;28.24,-1.9,;29.58,-2.67,;29.58,-4.21,;30.91,-1.9,;30.91,-.35,;32.24,.42,;24.31,3.45,;23.54,4.78,;22,4.77,;21.24,3.43,;22.02,2.1,;23.56,2.12,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(11-23)20(15-8-7-14(21)9-17(15)22)26-19(24-12)10-18(25-26)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50323171
((7-(2,4-dichlorophenyl)-5-methyl-2-phenylpyrazolo[...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(32.22,5.03,;30.89,4.26,;29.56,5.02,;28.22,4.25,;26.75,4.72,;25.85,3.46,;26.77,2.22,;28.23,2.71,;29.56,1.95,;30.9,2.72,;32.23,1.95,;33.56,2.72,;29.57,.41,;28.25,-.36,;28.24,-1.9,;29.58,-2.67,;29.58,-4.21,;30.91,-1.9,;30.91,-.35,;32.24,.42,;24.31,3.45,;23.54,4.78,;22,4.77,;21.24,3.43,;22.02,2.1,;23.56,2.12,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(11-23)20(15-8-7-14(21)9-17(15)22)26-19(24-12)10-18(25-26)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50323171
((7-(2,4-dichlorophenyl)-5-methyl-2-phenylpyrazolo[...)Show SMILES Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(32.22,5.03,;30.89,4.26,;29.56,5.02,;28.22,4.25,;26.75,4.72,;25.85,3.46,;26.77,2.22,;28.23,2.71,;29.56,1.95,;30.9,2.72,;32.23,1.95,;33.56,2.72,;29.57,.41,;28.25,-.36,;28.24,-1.9,;29.58,-2.67,;29.58,-4.21,;30.91,-1.9,;30.91,-.35,;32.24,.42,;24.31,3.45,;23.54,4.78,;22,4.77,;21.24,3.43,;22.02,2.1,;23.56,2.12,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(11-23)20(15-8-7-14(21)9-17(15)22)26-19(24-12)10-18(25-26)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50323161
((5-(2,4-dichlorophenyl)-7-methyl-2-phenylimidazo[1...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-17(15)22)26-11-18(25-20(26)24-12)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50323161
((5-(2,4-dichlorophenyl)-7-methyl-2-phenylimidazo[1...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-17(15)22)26-11-18(25-20(26)24-12)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50323161
((5-(2,4-dichlorophenyl)-7-methyl-2-phenylimidazo[1...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-17(15)22)26-11-18(25-20(26)24-12)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 4395-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8 |
More data for this
Ligand-Target Pair | |
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