BDBM21904 4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-8-methanesulfonylquinoline-3-carbonitrile::Cyanoquinoline, 17

SMILES: CS(=O)(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

InChI Key: InChIKey=LGCSEMGADQRDEW-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 = 21904   

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))	BDBM21904 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) Show SMILES CS(=O)(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C21H16ClFN6O2S/c1-32(30,31)19-6-14(26-10-15-9-25-11-28-15)4-16-20(12(7-24)8-27-21(16)19)29-13-2-3-18(23)17(22)5-13/h2-6,8-9,11,26H,10H2,1H3,(H,25,28)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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