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BDBM50326068 (E)-3-(4-Fluoro-3-nitrophenyl)-2-(4-fluorobenzylthio)-1-(4-fluorophenyl)prop-2-en-1-one::CHEMBL1242760

SMILES: [O-][N+](=O)c1cc(\C=C(\SCc2ccc(F)cc2)C(=O)c2ccc(F)cc2)ccc1F

InChI Key: InChIKey=MUMWSXHTWWVJHP-CIAFOILYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326068   
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))
BDBM50326068
PNG
((E)-3-(4-Fluoro-3-nitrophenyl)-2-(4-fluorobenzylth...)
Show SMILES [O-][N+](=O)c1cc(\C=C(\SCc2ccc(F)cc2)C(=O)c2ccc(F)cc2)ccc1F
Show InChI InChI=1S/C22H14F3NO3S/c23-17-6-1-14(2-7-17)13-30-21(22(27)16-4-8-18(24)9-5-16)12-15-3-10-19(25)20(11-15)26(28)29/h1-12H,13H2/b21-12+
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