BDBM50188000 1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-ethylphenyl)urea::CHEMBL445570
SMILES: CCc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
InChI Key: InChIKey=YIQCCYWMXOJNTG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50188000 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)) | BDBM50188000
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1 Show InChI InChI=1S/C20H18N6OS/c1-2-12-4-3-5-15(10-12)25-20(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)28-26-17/h3-11H,2H2,1H3,(H2,21,22,23)(H2,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KDR |
Bioorg Med Chem Lett 16: 4326-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.057 BindingDB Entry DOI: 10.7270/Q2W958S9 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50188000
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1 Show InChI InChI=1S/C20H18N6OS/c1-2-12-4-3-5-15(10-12)25-20(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)28-26-17/h3-11H,2H2,1H3,(H2,21,22,23)(H2,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KDR by cellular assay |
Bioorg Med Chem Lett 16: 4326-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.057 BindingDB Entry DOI: 10.7270/Q2W958S9 |
More data for this Ligand-Target Pair | |