BDBM14971 4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide::4-methyl-3-{[3-(pyrimidin-4-yl)pyridin-2-yl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide::JMC526189 Compound 2::pyridinyl pyrimidine 6
SMILES: Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F
InChI Key: InChIKey=HTUPONJUVMCVCW-UHFFFAOYSA-N
PDB links: 1 PDB ID contains this monomer as substructures. 2 PDB IDs contain 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)) | BDBM14971 (4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | 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) | ||||||||||||
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM14971 (4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | 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 | |||||||||||||
B-RAF V600E (Homo sapiens (Human)) | BDBM14971 (4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.460 | n/a | 15 | n/a | n/a | 7.0 | 23 |
Amgen | Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ... | J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiopoietin-1 receptor (Homo sapiens (Human)) | BDBM14971 (4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.60 | 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 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM14971 (4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | 7.5 | 23 |
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 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Lck (Homo sapiens (Human)) | BDBM14971 (4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.5 | 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 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM14971 (4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | 23 |
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 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26 | |||||||||||
More data for this Ligand-Target Pair |