BDBM50274242 4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]phenyl}-amino)-7-[(1E)-3-pyrrolidin-1-ylprop-1-enyl]quinoline-3-carbonitrile::CHEMBL521013

SMILES: Cn1ccnc1Sc1ccc(Nc2c(cnc3cc(\C=C\CN4CCCC4)ccc23)C#N)cc1Cl

InChI Key: InChIKey=KJIKEFFIRMLEEQ-SNAWJCMRSA-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 = 50274242   

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))	BDBM50274242 (4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]ph...) Show SMILES Cn1ccnc1Sc1ccc(Nc2c(cnc3cc(\C=C\CN4CCCC4)ccc23)C#N)cc1Cl Show InChI InChI=1S/C27H25ClN6S/c1-33-14-10-30-27(33)35-25-9-7-21(16-23(25)28)32-26-20(17-29)18-31-24-15-19(6-8-22(24)26)5-4-13-34-11-2-3-12-34/h4-10,14-16,18H,2-3,11-13H2,1H3,(H,31,32)/b5-4+	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	59	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