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BDBM50247272 5-(4-fluorostyryl)benzene-1,3-diol::CHEMBL451311::Stilbene, 8f

SMILES: Oc1cc(O)cc(\C=C\c2ccc(F)cc2)c1

InChI Key: InChIKey=HUFXCDXXKBCLOZ-OWOJBTEDSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50247272   
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
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50247272
PNG
(5-(4-fluorostyryl)benzene-1,3-diol | CHEMBL451311 ...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(F)cc2)c1
Show InChI InChI=1S/C14H11FO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
323 -9.20n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50247272
PNG
(5-(4-fluorostyryl)benzene-1,3-diol | CHEMBL451311 ...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(F)cc2)c1
Show InChI InChI=1S/C14H11FO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.13E+4n/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