BDBM50134927 CHEMBL3747136

SMILES: CCNS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1

InChI Key: InChIKey=WTXUEWBMMOZJLH-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 = 50134927   

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))	BDBM50134927 (CHEMBL3747136) Show SMILES CCNS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c1-2-26-33(30,31)28-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)27-17-7-6-13(24)10-16(17)23/h3-11,26-28H,2H2,1H3,(H2,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair