BDBM50207861 CHEMBL245549::N-(4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)phenyl)-3-(trifluoromethyl)benzamide::N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
SMILES: Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ccncn1
InChI Key: InChIKey=NESXBRNDMQUVNG-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50207861 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)) | BDBM50207861
(CHEMBL245549 | N-(4-methyl-3-(3-(pyrimidin-4-yl)py...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-18(31-23(33)16-4-2-5-17(12-16)24(25,26)27)13-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of Tie2 after 90 mins by HTRF assay |
Bioorg Med Chem Lett 17: 2886-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.067 BindingDB Entry DOI: 10.7270/Q2445M4C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50207861
(CHEMBL245549 | N-(4-methyl-3-(3-(pyrimidin-4-yl)py...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-18(31-23(33)16-4-2-5-17(12-16)24(25,26)27)13-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDR after 90 mins by HTRF assay |
Bioorg Med Chem Lett 17: 2886-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.067 BindingDB Entry DOI: 10.7270/Q2445M4C |
More data for this Ligand-Target Pair | |