BDBM50195000 6-((1H-pyrazol-3-yl)methylamino)-4-(3-chloro-4-fluorophenylamino)quinoline-3-carbonitrile::CHEMBL220233

SMILES: Fc1ccc(Nc2c(cnc3ccc(NCc4ccn[nH]4)cc23)C#N)cc1Cl

InChI Key: InChIKey=CMLPPPWSDQLMBA-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 = 50195000   

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))	BDBM50195000 (6-((1H-pyrazol-3-yl)methylamino)-4-(3-chloro-4-flu...) Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4ccn[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H14ClFN6/c21-17-8-14(1-3-18(17)22)27-20-12(9-23)10-25-19-4-2-13(7-16(19)20)24-11-15-5-6-26-28-15/h1-8,10,24H,11H2,(H,25,27)(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Tpl2 kinase by ELISA				Bioorg Med Chem Lett 16: 6067-72 (2006) Article DOI: 10.1016/j.bmcl.2006.08.102 BindingDB Entry DOI: 10.7270/Q2W958TR
					More data for this Ligand-Target Pair