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4 similar compounds to monomer 50074933

Compile data set for download or QSAR
Wt: 149.1
BDBM36104
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Wt: 149.1
BDBM36105
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Wt: 254.3
BDBM50074929
Wt: 240.2
BDBM50139242
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 36104,36105,50074929,50139242   
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50139242
PNG
(2-Biphenyl-4-yl-propionic acid methyl ester | CHEM...)
Show SMILES COC(=O)C(C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16O2/c1-12(16(17)18-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.85E+4n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Reverisible competitive inhibition of prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 667-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.034
BindingDB Entry DOI: 10.7270/Q2N29WC9
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM36104
PNG
((R)-2-phenylpropionic acid)
Show SMILES C[C@@H](C([O-])=O)c1ccccc1
Show InChI InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/p-1/t7-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.23E+6n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH


Eur J Med Chem 45: 3564-74 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.040
BindingDB Entry DOI: 10.7270/Q23J3F68
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50074929
PNG
(2-(3'-Ethyl-biphenyl-4-yl)-propionic acid | CHEMBL...)
Show SMILES CCc1cccc(c1)-c1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C17H18O2/c1-3-13-5-4-6-16(11-13)15-9-7-14(8-10-15)12(2)17(18)19/h4-12H,3H2,1-2H3,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep


Bioorg Med Chem Lett 9: 307-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00717-3
BindingDB Entry DOI: 10.7270/Q2H994CC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50074929
PNG
(2-(3'-Ethyl-biphenyl-4-yl)-propionic acid | CHEMBL...)
Show SMILES CCc1cccc(c1)-c1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C17H18O2/c1-3-13-5-4-6-16(11-13)15-9-7-14(8-10-15)12(2)17(18)19/h4-12H,3H2,1-2H3,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 (COX-2) in human


Bioorg Med Chem Lett 9: 307-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00717-3
BindingDB Entry DOI: 10.7270/Q2H994CC
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 36104,36105,50074929,50139242
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM11
JPEG
BDBM36104
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.090.0214-2.101.536.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36105
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.12-0.0498-2.081.566.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)