BDBM50333184 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid::5-(aminomethyl)-6-isobutyl-2-methyl-4-p-tolylnicotinic acid::CHEMBL1614729::CHEMBL1614729 (14)
SMILES: CC(C)Cc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN
InChI Key: InChIKey=NOAXOYPKZRNSHN-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University | Assay Description The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds. | Chem Biol Drug Des 84: 364-77 (2014) Article DOI: 10.1111/cbdd.12327 BindingDB Entry DOI: 10.7270/Q2D21W96 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry | Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins | J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of FLAG-tagged human DPP8 expressed in 293-F cells pre-incubated for 20 mins before Gly-Pro-pNA substrate addition and measured after 90 m... | Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of FLAG-tagged human DPP8 expressed in human 293F cells after 90 mins | J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 9 (Homo sapiens (Human)) | BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of FLAG-tagged human DPP9 expressed in human 293F cells after 90 mins | J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins | Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase II (Rattus norvegicus) | BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of rat kidney DPP2 after 60 mins | J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M | |||||||||||
More data for this Ligand-Target Pair |