BDBM50274439 4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]phenyl}-amino)-6-methoxy-7-[(1E)-4-(4-methylpiperazin-1-yl)but-1-enyl]quinoline-3-carbonitrile::CHEMBL524111

SMILES: COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1\C=C\CCN1CCN(C)CC1)C#N

InChI Key: InChIKey=WXUNOFVLABNPNZ-GQCTYLIASA-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 = 50274439   

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))	BDBM50274439 (4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]ph...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1\C=C\CCN1CCN(C)CC1)C#N Show InChI InChI=1S/C30H32ClN7OS/c1-36-12-14-38(15-13-36)10-5-4-6-21-16-26-24(18-27(21)39-3)29(22(19-32)20-34-26)35-23-7-8-28(25(31)17-23)40-30-33-9-11-37(30)2/h4,6-9,11,16-18,20H,5,10,12-15H2,1-3H3,(H,34,35)/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) by raf/MEK1/MAPK coupled assay				Bioorg Med Chem 16: 9202-11 (2008) Article DOI: 10.1016/j.bmc.2008.09.009 BindingDB Entry DOI: 10.7270/Q2DJ5FGD
					More data for this Ligand-Target Pair