BDBM50132265 4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-6,7-diethoxy-quinoline-3-carbonitrile::CHEMBL321045

SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OCC

InChI Key: InChIKey=GVWXQEVWTJEGNA-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 = 50132265   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50132265 (4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OCC Show InChI InChI=1S/C24H22ClN5O2S/c1-4-31-20-11-17-19(12-21(20)32-5-2)28-14-15(13-26)23(17)29-16-6-7-22(18(25)10-16)33-24-27-8-9-30(24)3/h6-12,14H,4-5H2,1-3H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair