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2 similar compounds to monomer 34230

Compile data set for download or QSAR
Wt: 334.4
BDBM50318490
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Wt: 336.4
BDBM50318491
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50318490,50318491   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin transporter (PGT)


(Rattus norvegicus (Rat))
BDBM50318491
PNG
(7-((1R,2S)-2-((S)-3-hydroxyoct-1-enyl)-5-oxocyclop...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/t16-,17-,18+/m0/s1
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CHEBI
CHEMBL
PC cid
PC sid
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PubMed
286n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells


Mol Pharmacol 50: 738-42 (1996)


BindingDB Entry DOI: 10.7270/Q2MW2J7P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318490
PNG
(7-((1S,2S)-2-((S)-3-hydroxyoct-1-enyl)-5-oxocyclop...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.24E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318491
PNG
(7-((1R,2S)-2-((S)-3-hydroxyoct-1-enyl)-5-oxocyclop...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/t16-,17-,18+/m0/s1
PDB

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KEGG

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CHEBI
CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.51E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair