BDBM17696 2-aminobenzoxazole, 21::4-({2-[(4-chlorophenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)cc4)nc3c2)ccn1

InChI Key: InChIKey=MSLRCTIJTGCYGK-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 17696   

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))	BDBM17696 (2-aminobenzoxazole, 21 | 4-({2-[(4-chlorophenyl)am...) Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)cc4)nc3c2)ccn1 Show InChI InChI=1S/C20H15ClN4O3/c1-22-19(26)17-11-15(8-9-23-17)27-14-6-7-18-16(10-14)25-20(28-18)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12	-10.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 50: 4351-4373 (2007) Article DOI: 10.1021/jm070034i BindingDB Entry DOI: 10.7270/Q21V5C74
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM17696 (2-aminobenzoxazole, 21 | 4-({2-[(4-chlorophenyl)am...) Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)cc4)nc3c2)ccn1 Show InChI InChI=1S/C20H15ClN4O3/c1-22-19(26)17-11-15(8-9-23-17)27-14-6-7-18-16(10-14)25-20(28-18)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,26)(H,24,25)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA				Bioorg Med Chem Lett 21: 3286-9 (2011) Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0
					More data for this Ligand-Target Pair