Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 544.1 BDBM50274244

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50274244 (4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]ph...) Show SMILES CCN1CCN(C\C=C\c2ccc3c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c(cnc3c2)C#N)CC1 Show InChI InChI=1S/C29H30ClN7S/c1-3-36-13-15-37(16-14-36)11-4-5-21-6-8-24-26(17-21)33-20-22(19-31)28(24)34-23-7-9-27(25(30)18-23)38-29-32-10-12-35(29)2/h4-10,12,17-18,20H,3,11,13-16H2,1-2H3,(H,33,34)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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