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BDBM50160910 CHEMBL184779::{3-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-phenyl}-acetic acid

SMILES: OC(=O)Cc1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1

InChI Key: InChIKey=PNVFGVWWQZJNKR-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50160910   
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))
BDBM50160910
PNG
(CHEMBL184779 | {3-[3-(2-Benzyloxy-5-chloro-phenyl)...)
Show SMILES OC(=O)Cc1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H19ClO3S/c26-20-9-10-23(29-16-17-5-2-1-3-6-17)22(15-20)21-11-12-30-25(21)19-8-4-7-18(13-19)14-24(27)28/h1-13,15H,14,16H2,(H,27,28)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50160910
PNG
(CHEMBL184779 | {3-[3-(2-Benzyloxy-5-chloro-phenyl)...)
Show SMILES OC(=O)Cc1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H19ClO3S/c26-20-9-10-23(29-16-17-5-2-1-3-6-17)22(15-20)21-11-12-30-25(21)19-8-4-7-18(13-19)14-24(27)28/h1-13,15H,14,16H2,(H,27,28)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against human Prostanoid TP receptor


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160910
PNG
(CHEMBL184779 | {3-[3-(2-Benzyloxy-5-chloro-phenyl)...)
Show SMILES OC(=O)Cc1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H19ClO3S/c26-20-9-10-23(29-16-17-5-2-1-3-6-17)22(15-20)21-11-12-30-25(21)19-8-4-7-18(13-19)14-24(27)28/h1-13,15H,14,16H2,(H,27,28)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor in presence of 2% human serum albumin


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair