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BDBM50060976 (3-Phenoxy-phenyl)-acetic acid::CHEMBL107066

SMILES: OC(=O)Cc1cccc(Oc2ccccc2)c1

InChI Key: InChIKey=LEMRHTTWKDVQEI-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50060976   
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
Human papillomavirus regulatory protein E2


(Human papillomavirus type 16)
BDBM50060976
PNG
((3-Phenoxy-phenyl)-acetic acid | CHEMBL107066)
Show SMILES OC(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C14H12O3/c15-14(16)10-11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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MCE
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Article
PubMed
n/an/an/a>1.00E+7n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation constant after binding to human papillomavirus E2 DNA-binding domain (DBD) by observing the changes in [15N]-HSQC spectra.


J Med Chem 40: 3144-50 (1997)


Article DOI: 10.1021/jm9703404
BindingDB Entry DOI: 10.7270/Q2MG7NN2
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50060976
PNG
((3-Phenoxy-phenyl)-acetic acid | CHEMBL107066)
Show SMILES OC(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C14H12O3/c15-14(16)10-11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)
PDB

UniProtKB/SwissProt

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MCE
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Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
Gamma hydroxybutyric, GHB


(RAT)
BDBM50060976
PNG
((3-Phenoxy-phenyl)-acetic acid | CHEMBL107066)
Show SMILES OC(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C14H12O3/c15-14(16)10-11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)
UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.63E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]-NCS-382 (16 nM) from GHB receptor of rat cerebrocortical membranes


Bioorg Med Chem Lett 15: 3201-2 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.011
BindingDB Entry DOI: 10.7270/Q2MP52TK
More data for this
Ligand-Target Pair