BDBM50072552 CHEMBL3409597

SMILES: OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1cc(NC2CCOCC2)ncn1

InChI Key: InChIKey=OGGRRIXBAGDICR-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 = 50072552   

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))	BDBM50072552 (CHEMBL3409597) Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1cc(NC2CCOCC2)ncn1 Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(9-18(17)24)20(12-29)28-6-3-14(10-22(28)30)19-11-21(26-13-25-19)27-16-4-7-31-8-5-16/h1-3,6,9-11,13,16,20,29H,4-5,7-8,12H2,(H,25,26,27)	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	14	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