BindingDB logo
myBDB logout

BDBM50326065 (E)-4-(2-(4-Fluorobenzylthio)-3-(4-chloro-3-nitrophenyl)acryloyl)benzoic acid::CHEMBL1242669

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

InChI Key: InChIKey=JOTZIFWMMIGBPN-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 = 50326065   
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))
BDBM50326065
PNG
((E)-4-(2-(4-Fluorobenzylthio)-3-(4-chloro-3-nitrop...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(F)cc1)=C/c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15ClFNO5S/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

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