Found 3 hits 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
(728/728 = 100%)†
(Homo sapiens (Human)) | BDBM50356580
(CHEMBL1910111)Show SMILES COC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(20.42,.86,;21.19,2.2,;20.42,3.53,;18.88,3.53,;21.19,4.87,;22.72,4.87,;23.62,3.62,;25.09,4.09,;25.09,5.63,;26.42,6.41,;27.75,5.65,;29.08,6.42,;27.76,4.1,;29.09,3.33,;30.43,4.1,;26.42,3.32,;26.42,1.79,;25.09,1.02,;25.09,-.52,;26.42,-1.29,;26.42,-2.83,;27.76,-.51,;27.75,1.02,;29.08,1.8,;23.63,6.11,;23.15,7.59,)| Show InChI InChI=1S/C18H17Cl2N3O3/c1-9-12(6-21)16(11-4-3-10(19)5-14(11)20)13-7-23(8-15(24)26-2)18(25)17(13)22-9/h3-5H,6-8,21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(728/728 = 100%)†
(Homo sapiens (Human)) | BDBM50356580
(CHEMBL1910111)Show SMILES COC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(20.42,.86,;21.19,2.2,;20.42,3.53,;18.88,3.53,;21.19,4.87,;22.72,4.87,;23.62,3.62,;25.09,4.09,;25.09,5.63,;26.42,6.41,;27.75,5.65,;29.08,6.42,;27.76,4.1,;29.09,3.33,;30.43,4.1,;26.42,3.32,;26.42,1.79,;25.09,1.02,;25.09,-.52,;26.42,-1.29,;26.42,-2.83,;27.76,-.51,;27.75,1.02,;29.08,1.8,;23.63,6.11,;23.15,7.59,)| Show InChI InChI=1S/C18H17Cl2N3O3/c1-9-12(6-21)16(11-4-3-10(19)5-14(11)20)13-7-23(8-15(24)26-2)18(25)17(13)22-9/h3-5H,6-8,21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(728/728 = 100%)†
(Homo sapiens (Human)) | BDBM50356580
(CHEMBL1910111)Show SMILES COC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(20.42,.86,;21.19,2.2,;20.42,3.53,;18.88,3.53,;21.19,4.87,;22.72,4.87,;23.62,3.62,;25.09,4.09,;25.09,5.63,;26.42,6.41,;27.75,5.65,;29.08,6.42,;27.76,4.1,;29.09,3.33,;30.43,4.1,;26.42,3.32,;26.42,1.79,;25.09,1.02,;25.09,-.52,;26.42,-1.29,;26.42,-2.83,;27.76,-.51,;27.75,1.02,;29.08,1.8,;23.63,6.11,;23.15,7.59,)| Show InChI InChI=1S/C18H17Cl2N3O3/c1-9-12(6-21)16(11-4-3-10(19)5-14(11)20)13-7-23(8-15(24)26-2)18(25)17(13)22-9/h3-5H,6-8,21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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