BDBM21907 4-[(3-chloro-4-fluorophenyl)amino]-8-(2,3-dihydroxypropyl)-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile::Cyanoquinoline, 20

SMILES: OCC(O)Cc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

InChI Key: InChIKey=DOXNJPSGPQLUJS-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 = 21907   

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))	BDBM21907 (4-[(3-chloro-4-fluorophenyl)amino]-8-(2,3-dihydrox...) Show SMILES OCC(O)Cc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C23H20ClFN6O2/c24-20-6-15(1-2-21(20)25)31-23-14(7-26)8-29-22-13(4-18(33)11-32)3-16(5-19(22)23)28-10-17-9-27-12-30-17/h1-3,5-6,8-9,12,18,28,32-33H,4,10-11H2,(H,27,30)(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	910	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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