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BDBM96535 2-methyl-1-[(E)-1-oxo-4-phenylbut-3-enyl]-N-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-2-azetidinecarboxamide::2-methyl-1-[(E)-4-phenylbut-3-enoyl]-N-[2-(trifluoromethyl)benzyl]sulfonyl-azetidine-2-carboxamide::2-methyl-1-[(E)-4-phenylbut-3-enoyl]-N-[[2-(trifluoromethyl)phenyl]methylsulfonyl]azetidine-2-carboxamide::MLS003118398::SMR001282062::cid_49786388

SMILES: CC1(CCN1C(=O)C\C=C\c1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C(F)(F)F

InChI Key: InChIKey=JFHWBBWKLXKONS-JXMROGBWSA-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 = 96535   
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
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM96535
PNG
(2-methyl-1-[(E)-1-oxo-4-phenylbut-3-enyl]-N-[[2-(t...)
Show SMILES CC1(CCN1C(=O)C\C=C\c1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O4S/c1-22(14-15-28(22)20(29)13-7-10-17-8-3-2-4-9-17)21(30)27-33(31,32)16-18-11-5-6-12-19(18)23(24,25)26/h2-12H,13-16H2,1H3,(H,27,30)/b10-7+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair