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BDBM50247230 5-(2-(4-(trifluoromethyl)phenyl)prop-1-enyl)benzene-1,3-diol::CHEMBL474128

SMILES: C\C(=C/c1cc(O)cc(O)c1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=RNHLNSUTABABRR-UXBLZVDNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247230   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50247230
PNG
(5-(2-(4-(trifluoromethyl)phenyl)prop-1-enyl)benzen...)
Show SMILES C\C(=C/c1cc(O)cc(O)c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H13F3O2/c1-10(6-11-7-14(20)9-15(21)8-11)12-2-4-13(5-3-12)16(17,18)19/h2-9,20-21H,1H3/b10-6+
PDB

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Similars

Article
PubMed
n/an/a 970n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem 17: 1044-54 (2009)


Article DOI: 10.1016/j.bmc.2008.04.031
BindingDB Entry DOI: 10.7270/Q2WH2PRR
More data for this
Ligand-Target Pair