BDBM50326076 (E)-methyl 4-(2-(4-bromobenzylthio)-3-(4-fluoro-3-nitrophenyl)acryloyl)benzoate::CHEMBL1241689

SMILES: COC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O

InChI Key: InChIKey=RBVZQGGIPAKNKY-LPYMAVHISA-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 = 50326076   

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
Bcr-Abl (Homo sapiens (Human))	BDBM50326076 ((E)-methyl 4-(2-(4-bromobenzylthio)-3-(4-fluoro-3-...) Show SMILES COC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C24H17BrFNO5S/c1-32-24(29)18-7-5-17(6-8-18)23(28)22(33-14-15-2-9-19(25)10-3-15)13-16-4-11-20(26)21(12-16)27(30)31/h2-13H,14H2,1H3/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Medicine Curated by ChEMBL					Assay Description Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis				Bioorg Med Chem 18: 2317-26 (2010) Article DOI: 10.1016/j.bmc.2010.01.051 BindingDB Entry DOI: 10.7270/Q21Z44N8
					More data for this Ligand-Target Pair