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BDBM50326070 (E)-4-(2-(2-Chlorobenzylthio)-3-(4-fluoro-3-nitrophenyl)acryloyl)benzoic acid::CHEMBL1242858

SMILES: OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccccc1Cl)=C/c1ccc(F)c(c1)[N+]([O-])=O

InChI Key: InChIKey=RJLHULXOUISPSV-CIAFOILYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326070   
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))
BDBM50326070
PNG
((E)-4-(2-(2-Chlorobenzylthio)-3-(4-fluoro-3-nitrop...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccccc1Cl)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15ClFNO5S/c24-18-4-2-1-3-17(18)13-32-21(12-14-5-10-19(25)20(11-14)26(30)31)22(27)15-6-8-16(9-7-15)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/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