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SMILES: FC(F)(F)c1ccc(Cc2ccccc2)c(=O)o1

InChI Key: InChIKey=ZKKSJTWCKQAEAV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025554   
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
Chymotrypsin-C


(Homo sapiens (Human))
BDBM50025554
PNG
(3-Benzyl-6-trifluoromethyl-pyran-2-one | CHEMBL160...)
Show SMILES FC(F)(F)c1ccc(Cc2ccccc2)c(=O)o1
Show InChI InChI=1S/C13H9F3O2/c14-13(15,16)11-7-6-10(12(17)18-11)8-9-4-2-1-3-5-9/h1-7H,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.27E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-chymotrypsin from bovine pancreas.


J Med Chem 29: 1159-63 (1987)


BindingDB Entry DOI: 10.7270/Q27080D6
More data for this
Ligand-Target Pair