BDBM17678 2-aminobenzimidazole, 3::4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]-N-methylpyridine-2-carboxamide::JMC517049 Compound 3

SMILES: CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1

InChI Key: InChIKey=ZJLSMLDOCGOURY-UHFFFAOYSA-N

Data: 1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer. 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 3 hits for monomerid = 17678   

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))	BDBM17678 (2-aminobenzimidazole, 3 | 4-[(2-{[4-chloro-3-(trif...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1 Show InChI InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	9	-10.9	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				3D Structure (crystal)
B-RAF V600E (Homo sapiens (Human))	BDBM17678 (2-aminobenzimidazole, 3 | 4-[(2-{[4-chloro-3-(trif...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1 Show InChI InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)	PDB GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM17678 (2-aminobenzimidazole, 3 | 4-[(2-{[4-chloro-3-(trif...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1 Show InChI InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair