BDBM21919 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[6-(morpholin-4-yl)pyridin-2-yl]methyl}amino)quinoline-3-carbonitrile::Cyanoquinoline, 32

SMILES: Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cccc(n4)N4CCOCC4)cc23)C#N)cc1Cl

InChI Key: InChIKey=VIIMQDOONHSFRM-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21919   

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))	BDBM21919 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[6...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cccc(n4)N4CCOCC4)cc23)C#N)cc1Cl Show InChI InChI=1S/C26H21Cl2FN6O/c27-21-11-17(4-5-23(21)29)34-25-16(13-30)14-32-26-20(25)10-19(12-22(26)28)31-15-18-2-1-3-24(33-18)35-6-8-36-9-7-35/h1-5,10-12,14,31H,6-9,15H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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
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