BDBM50326064 (E)-4-(2-(4-Chlorobenzylthio)-3-(4-bromo-3-nitrophenyl)acryloyl)benzoic acid::CHEMBL1242580

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

InChI Key: InChIKey=QMKWMIGOOJHGFS-CIAFOILYSA-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 = 50326064   

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))	BDBM50326064 ((E)-4-(2-(4-Chlorobenzylthio)-3-(4-bromo-3-nitroph...) Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Cl)cc1)=C/c1ccc(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H15BrClNO5S/c24-19-10-3-15(11-20(19)26(30)31)12-21(32-13-14-1-8-18(25)9-2-14)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+	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	2.50E+3	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