BDBM50057744 CHEMBL3322989

SMILES: COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CNCCO1

InChI Key: InChIKey=NJBISEJDZBHSAH-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 = 50057744   

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
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057744 (CHEMBL3322989) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C20H20BrFN4O3/c1-27-18-7-14-17(8-19(18)29-10-13-9-23-4-5-28-13)24-11-25-20(14)26-16-3-2-12(21)6-15(16)22/h2-3,6-8,11,13,23H,4-5,9-10H2,1H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair