BDBM21918 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(6-methylpyridin-2-yl)methyl]amino}quinoline-3-carbonitrile::Cyanoquinoline, 31

SMILES: Cc1cccc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)n1

InChI Key: InChIKey=AGOVQCJRUFATTM-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 21918   

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
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21918 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(6...) Show SMILES Cc1cccc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)n1 Show InChI InChI=1S/C23H16Cl2FN5/c1-13-3-2-4-16(30-13)12-28-17-7-18-22(31-15-5-6-21(26)19(24)8-15)14(10-27)11-29-23(18)20(25)9-17/h2-9,11,28H,12H2,1H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair