BDBM50194993 4-(3-chloro-4-fluorophenylamino)-6-((tetrahydrofuran-2-yl)methylamino)quinoline-3-carbonitrile::CHEMBL374071

SMILES: Fc1ccc(Nc2c(cnc3ccc(NCC4CCCO4)cc23)C#N)cc1Cl

InChI Key: InChIKey=ZMRAQUWHRWESKS-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 = 50194993   

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))	BDBM50194993 (4-(3-chloro-4-fluorophenylamino)-6-((tetrahydrofur...) Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCC4CCCO4)cc23)C#N)cc1Cl Show InChI InChI=1S/C21H18ClFN4O/c22-18-9-15(3-5-19(18)23)27-21-13(10-24)11-26-20-6-4-14(8-17(20)21)25-12-16-2-1-7-28-16/h3-6,8-9,11,16,25H,1-2,7,12H2,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	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