BDBM50072554 CHEMBL3409600

SMILES: OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1nc(NC2CCOCC2)ncc1F

InChI Key: InChIKey=DPDCDSABMSZBTE-UHFFFAOYSA-N

Data: 1 KI

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 = 50072554   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50072554 (CHEMBL3409600) Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1nc(NC2CCOCC2)ncc1F Show InChI InChI=1S/C22H21ClF2N4O3/c23-16-2-1-13(9-17(16)24)19(12-30)29-6-3-14(10-20(29)31)21-18(25)11-26-22(28-21)27-15-4-7-32-8-5-15/h1-3,6,9-11,15,19,30H,4-5,7-8,12H2,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
					More data for this Ligand-Target Pair