BDBM50195004 (S)-4-(3-chloro-4-fluorophenylamino)-6-((1-ethylpyrrolidin-2-yl)methylamino)quinoline-3-carbonitrile::CHEMBL426924

SMILES: CCN1CCC[C@H]1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

InChI Key: InChIKey=FVKSRWYJQXCQTC-SFHVURJKSA-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 = 50195004   

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))	BDBM50195004 ((S)-4-(3-chloro-4-fluorophenylamino)-6-((1-ethylpy...) Show SMILES CCN1CCC[C@H]1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H23ClFN5/c1-2-30-9-3-4-18(30)14-27-16-6-8-22-19(10-16)23(15(12-26)13-28-22)29-17-5-7-21(25)20(24)11-17/h5-8,10-11,13,18,27H,2-4,9,14H2,1H3,(H,28,29)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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