BDBM50266091 1-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea::1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea::CHEMBL468612
SMILES: CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1C
InChI Key: InChIKey=INFGJUQNPPGDNS-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 = 50266091 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 |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50266091
(1-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)py...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1C Show InChI InChI=1S/C25H21F3N6O2/c1-15-13-18(33-24(35)32-17-6-3-5-16(14-17)25(26,27)28)8-9-21(15)36-22-19(7-4-11-30-22)20-10-12-31-23(29-2)34-20/h3-14H,1-2H3,(H,29,31,34)(H2,32,33,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDR |
Bioorg Med Chem Lett 19: 424-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.056 BindingDB Entry DOI: 10.7270/Q29P31HK |
More data for this Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50266091
(1-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)py...)Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1C Show InChI InChI=1S/C25H21F3N6O2/c1-15-13-18(33-24(35)32-17-6-3-5-16(14-17)25(26,27)28)8-9-21(15)36-22-19(7-4-11-30-22)20-10-12-31-23(29-2)34-20/h3-14H,1-2H3,(H,29,31,34)(H2,32,33,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of Tie2 (unknown origin) |
Bioorg Med Chem Lett 19: 424-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.056 BindingDB Entry DOI: 10.7270/Q29P31HK |
More data for this Ligand-Target Pair | |