BDBM50072560 CHEMBL3409570

SMILES: Fc1cc(CCn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)ccc1Cl

InChI Key: InChIKey=NOOAKNBOIMAWSA-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 = 50072560   

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))	BDBM50072560 (CHEMBL3409570) Show SMILES Fc1cc(CCn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)ccc1Cl Show InChI InChI=1S/C22H22ClFN4O2/c23-18-2-1-15(13-19(18)24)4-9-28-10-5-16(14-21(28)29)20-3-8-25-22(27-20)26-17-6-11-30-12-7-17/h1-3,5,8,10,13-14,17H,4,6-7,9,11-12H2,(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	1.10	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