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BDBM50326073 (E)-4-(3-(4-Bromo-3-nitrophenyl)-2-(2,4-dichlorobenzylthio)acryloyl)benzoic acid::CHEMBL1241591

SMILES: OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Cl)cc1Cl)=C/c1ccc(Br)c(c1)[N+]([O-])=O

InChI Key: InChIKey=TYWMAXNQKIULMQ-UFFVCSGVSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326073   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326073
PNG
((E)-4-(3-(4-Bromo-3-nitrophenyl)-2-(2,4-dichlorobe...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Cl)cc1Cl)=C/c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H14BrCl2NO5S/c24-18-8-1-13(9-20(18)27(31)32)10-21(33-12-16-6-7-17(25)11-19(16)26)22(28)14-2-4-15(5-3-14)23(29)30/h1-11H,12H2,(H,29,30)/b21-10+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/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