BDBM50274438 4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]phenyl}-amino)-7-[(1E)-4-(diethylamino)but-1-enyl]-6-methoxyquinoline-3-carbonitrile::CHEMBL485615

SMILES: CCN(CC)CC\C=C\c1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OC

InChI Key: InChIKey=KFHLIWJNXIOCRU-VQHVLOKHSA-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 = 50274438   

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))	BDBM50274438 (4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]ph...) Show SMILES CCN(CC)CC\C=C\c1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C29H31ClN6OS/c1-5-36(6-2)13-8-7-9-20-15-25-23(17-26(20)37-4)28(21(18-31)19-33-25)34-22-10-11-27(24(30)16-22)38-29-32-12-14-35(29)3/h7,9-12,14-17,19H,5-6,8,13H2,1-4H3,(H,33,34)/b9-7+	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	3	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