BDBM11578 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine::Aminomethylpyrimidine 1c::CHEMBL36020
SMILES: NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccccc1
InChI Key: InChIKey=CTFXGZSHNLIYDI-UHFFFAOYSA-N
Data: 3 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
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Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM11578 (5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyr...) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. | Assay Description DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a... | Bioorg Med Chem Lett 14: 1491-3 (2004) Article DOI: 10.1016/j.bmcl.2004.01.019 BindingDB Entry DOI: 10.7270/Q22B8W7M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM11578 (5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyr...) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate University of the Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of DPP4 | Bioorg Med Chem Lett 21: 6630-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.093 BindingDB Entry DOI: 10.7270/Q2DN45GR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM11578 (5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Inhibition of human liver microsome Cytochrome P3A4 | Bioorg Med Chem Lett 14: 3575-8 (2004) Article DOI: 10.1016/j.bmcl.2004.04.048 BindingDB Entry DOI: 10.7270/Q27H1J2V | |||||||||||
More data for this Ligand-Target Pair |