BDBM50132259 6-Methoxy-4-[3-methyl-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-7-(3-morpholin-4-yl-propoxy)-quinoline-3-carbonitrile::CHEMBL321078

SMILES: COc1cc2c(Nc3ccc(Sc4nccn4C)c(C)c3)c(cnc2cc1OCCCN1CCOCC1)C#N

InChI Key: InChIKey=LXBNQBIAGUXBOS-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 = 50132259   

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))	BDBM50132259 (6-Methoxy-4-[3-methyl-4-(1-methyl-1H-imidazol-2-yl...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(C)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H32N6O3S/c1-20-15-22(5-6-27(20)39-29-31-7-9-34(29)2)33-28-21(18-30)19-32-24-17-26(25(36-3)16-23(24)28)38-12-4-8-35-10-13-37-14-11-35/h5-7,9,15-17,19H,4,8,10-14H2,1-3H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	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