BDBM14948 4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide::4-methyl-3-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)-N-[3-(trifluoromethyl)phenyl]benzamide::pyridinyl pyrimidine 15::pyridylpyrimidine ether 4
SMILES: CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
InChI Key: InChIKey=ZVIWALRWYYSHSU-UHFFFAOYSA-N
Data: 7 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Angiopoietin-1 receptor (Homo sapiens (Human)) | BDBM14948 (4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Amgen | Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor... | J Med Chem 50: 627-40 (2007) Article DOI: 10.1021/jm061112p BindingDB Entry DOI: 10.7270/Q2R49P1Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM14948 (4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen | Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor... | J Med Chem 50: 627-40 (2007) Article DOI: 10.1021/jm061112p BindingDB Entry DOI: 10.7270/Q2R49P1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lck (Homo sapiens (Human)) | BDBM14948 (4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen | Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor... | J Med Chem 50: 627-40 (2007) Article DOI: 10.1021/jm061112p BindingDB Entry DOI: 10.7270/Q2R49P1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Yes (Homo sapiens (Human)) | BDBM14948 (4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Frederick National Laboratory for Cancer Research Curated by ChEMBL | Assay Description Inhibition of Yes1 (unknown origin) by [gamma-33P]-ATP radiolabeled enzyme activity assay | Bioorg Med Chem Lett 23: 4398-403 (2013) Article DOI: 10.1016/j.bmcl.2013.05.072 BindingDB Entry DOI: 10.7270/Q2BR8W3F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM14948 (4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen | Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor... | J Med Chem 50: 611-26 (2007) Article DOI: 10.1021/jm061107l BindingDB Entry DOI: 10.7270/Q2MC8X8S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Yes (Homo sapiens (Human)) | BDBM14948 (4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Frederick National Laboratory for Cancer Research Curated by ChEMBL | Assay Description Inhibition of Yes1 (unknown origin) assessed as kinase-dependent enzymatic production of ADP from ATP using coupled luminescence-based reaction by AD... | Bioorg Med Chem Lett 23: 4398-403 (2013) Article DOI: 10.1016/j.bmcl.2013.05.072 BindingDB Entry DOI: 10.7270/Q2BR8W3F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiopoietin-1 receptor (Homo sapiens (Human)) | BDBM14948 (4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Amgen | Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor... | J Med Chem 50: 611-26 (2007) Article DOI: 10.1021/jm061107l BindingDB Entry DOI: 10.7270/Q2MC8X8S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |