BDBM21916 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridin-3-yl]methyl}amino)quinoline-3-carbonitrile::Cyanoquinoline, 29

SMILES: OC(c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=ACNJPHNKOWBIQK-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 = 21916   

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))	BDBM21916 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[5...) Show SMILES OC(c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H14Cl2F7N5O/c26-18-5-15(1-2-20(18)28)39-21-13(7-35)10-38-22-17(21)4-16(6-19(22)27)37-9-12-3-14(11-36-8-12)23(40,24(29,30)31)25(32,33)34/h1-6,8,10-11,37,40H,9H2,(H,38,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	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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