BDBM50072557 CHEMBL3409408

SMILES: Clc1ccc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)cc1

InChI Key: InChIKey=BGZRPCJRWKJCDU-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 = 50072557   

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))	BDBM50072557 (CHEMBL3409408) Show SMILES Clc1ccc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)cc1 Show InChI InChI=1S/C21H21ClN4O2/c22-17-3-1-15(2-4-17)14-26-10-6-16(13-20(26)27)19-5-9-23-21(25-19)24-18-7-11-28-12-8-18/h1-6,9-10,13,18H,7-8,11-12,14H2,(H,23,24,25)	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	0.300	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