BDBM50066137 CHEMBL3400287

SMILES: CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(c3)N3CCCS3(=O)=O)c(=O)oc2c1

InChI Key: InChIKey=WPYMJZJDTLFUJI-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50066137   

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))	BDBM50066137 (CHEMBL3400287) Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(c3)N3CCCS3(=O)=O)c(=O)oc2c1 Show InChI InChI=1S/C23H24N2O6S/c1-15-19-9-8-18(30-23(27)24(2)3)14-21(19)31-22(26)20(15)13-16-6-4-7-17(12-16)25-10-5-11-32(25,28)29/h4,6-9,12,14H,5,10-11,13H2,1-3H3	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	27	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin)				Bioorg Med Chem 23: 1386-94 (2015) Article DOI: 10.1016/j.bmc.2015.02.053 BindingDB Entry DOI: 10.7270/Q2G162H4
					More data for this Ligand-Target Pair