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BDBM50183188 3-(2-(2-(benzyloxy)-5-chlorophenyl)cyclopent-1-enyl)benzoic acid::CHEMBL207577

SMILES: OC(=O)c1cccc(c1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccccc1

InChI Key: InChIKey=BHIIXYUVEXKWSO-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50183188   
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 E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50183188
PNG
(3-(2-(2-(benzyloxy)-5-chlorophenyl)cyclopent-1-eny...)
Show SMILES OC(=O)c1cccc(c1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccccc1 |t:10|
Show InChI InChI=1S/C25H21ClO3/c26-20-12-13-24(29-16-17-6-2-1-3-7-17)23(15-20)22-11-5-10-21(22)18-8-4-9-19(14-18)25(27)28/h1-4,6-9,12-15H,5,10-11,16H2,(H,27,28)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from EP1 receptor


Bioorg Med Chem Lett 18: 1592-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.071
BindingDB Entry DOI: 10.7270/Q2N58NNN
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50183188
PNG
(3-(2-(2-(benzyloxy)-5-chlorophenyl)cyclopent-1-eny...)
Show SMILES OC(=O)c1cccc(c1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccccc1 |t:10|
Show InChI InChI=1S/C25H21ClO3/c26-20-12-13-24(29-16-17-6-2-1-3-7-17)23(15-20)22-11-5-10-21(22)18-8-4-9-19(14-18)25(27)28/h1-4,6-9,12-15H,5,10-11,16H2,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP450 2C9


Bioorg Med Chem Lett 16: 2666-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM
More data for this
Ligand-Target Pair