BindingDB logo
myBDB logout

BDBM50326077 (E)-4-(2-(Benzylthio)-3-(4-fluoro-3-nitrophenyl)acryloyl)benzoic acid::CHEMBL1240546

SMILES: OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccccc1)=C/c1ccc(F)c(c1)[N+]([O-])=O

InChI Key: InChIKey=APLHMQZSNGPRLM-FYJGNVAPSA-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 = 50326077   
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))
BDBM50326077
PNG
((E)-4-(2-(Benzylthio)-3-(4-fluoro-3-nitrophenyl)ac...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccccc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H16FNO5S/c24-19-11-6-16(12-20(19)25(29)30)13-21(31-14-15-4-2-1-3-5-15)22(26)17-7-9-18(10-8-17)23(27)28/h1-13H,14H2,(H,27,28)/b21-13+
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