BDBM50031512 CHEMBL3359128

SMILES: Cc1cc(=O)oc2cc(OCC(=O)OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12

InChI Key: InChIKey=KRCNKTJQKVMUGV-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 = 50031512   

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))	BDBM50031512 (CHEMBL3359128) Show SMILES Cc1cc(=O)oc2cc(OCC(=O)OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C22H18N2O10S/c1-14-11-19(25)33-18-12-15(7-8-17(14)18)32-13-20(26)30-9-10-31-21-22(24(27)34-23-21)35(28,29)16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3	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	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of MEK-1 (unknown origin) after 120 mins by mobility shift assay				J Med Chem 57: 9343-56 (2014) Article DOI: 10.1021/jm500613m BindingDB Entry DOI: 10.7270/Q2RX9DP3
					More data for this Ligand-Target Pair