BDBM50180835 CHEMBL3819520

SMILES: FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCCCNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1

InChI Key: InChIKey=YDFSDDKFOSTEEY-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 = 50180835   

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))	BDBM50180835 (CHEMBL3819520) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCCCNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1 Show InChI InChI=1S/C38H41F5IN11O5S/c39-26-9-8-25(32(31(26)41)46-28-10-7-24(44)23-27(28)40)35(56)51-60-19-12-45-11-3-4-22-61(57,58)54-15-13-52(14-16-54)36-48-37(53-17-20-59-21-18-53)50-38(49-36)55-30-6-2-1-5-29(30)47-34(55)33(42)43/h1-2,5-10,23,33,45-46H,3-4,11-22H2,(H,51,56)	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	57	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 purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...				J Med Chem 59: 2512-22 (2016) BindingDB Entry DOI: 10.7270/Q2FB54W9
					More data for this Ligand-Target Pair