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BDBM50366139 CHEMBL1957308

SMILES: O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O

InChI Key: InChIKey=ZEQIDWZOBUPIGE-JFDVKVQISA-N

Data: 4 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 4 hits for monomerid = 50366139   
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
Prostanoid EP4 Receptor


(Mus musculus (Mouse))
BDBM50366139
PNG
(CHEMBL1957308)
Show SMILES O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O |r|
Show InChI InChI=1S/C20H26ClNO4S/c21-16-4-1-3-15(13-16)14-18(23)8-6-17-7-9-19(24)22(17)10-12-27-11-2-5-20(25)26/h1,3-4,6,8,13,17-18,23H,2,5,7,9-12,14H2,(H,25,26)/b8-6+/t17-,18+/m0/s1
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Article
PubMed
9n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 2235-51 (2012)


Article DOI: 10.1016/j.bmc.2012.02.018
BindingDB Entry DOI: 10.7270/Q2542P2G
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50366139
PNG
(CHEMBL1957308)
Show SMILES O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O |r|
Show InChI InChI=1S/C20H26ClNO4S/c21-16-4-1-3-15(13-16)14-18(23)8-6-17-7-9-19(24)22(17)10-12-27-11-2-5-20(25)26/h1,3-4,6,8,13,17-18,23H,2,5,7,9-12,14H2,(H,25,26)/b8-6+/t17-,18+/m0/s1
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Article
PubMed
6.90E+3n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 2235-51 (2012)


Article DOI: 10.1016/j.bmc.2012.02.018
BindingDB Entry DOI: 10.7270/Q2542P2G
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50366139
PNG
(CHEMBL1957308)
Show SMILES O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O |r|
Show InChI InChI=1S/C20H26ClNO4S/c21-16-4-1-3-15(13-16)14-18(23)8-6-17-7-9-19(24)22(17)10-12-27-11-2-5-20(25)26/h1,3-4,6,8,13,17-18,23H,2,5,7,9-12,14H2,(H,25,26)/b8-6+/t17-,18+/m0/s1
Reactome pathway
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PC sid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 2235-51 (2012)


Article DOI: 10.1016/j.bmc.2012.02.018
BindingDB Entry DOI: 10.7270/Q2542P2G
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50366139
PNG
(CHEMBL1957308)
Show SMILES O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O |r|
Show InChI InChI=1S/C20H26ClNO4S/c21-16-4-1-3-15(13-16)14-18(23)8-6-17-7-9-19(24)22(17)10-12-27-11-2-5-20(25)26/h1,3-4,6,8,13,17-18,23H,2,5,7,9-12,14H2,(H,25,26)/b8-6+/t17-,18+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 2235-51 (2012)


Article DOI: 10.1016/j.bmc.2012.02.018
BindingDB Entry DOI: 10.7270/Q2542P2G
More data for this
Ligand-Target Pair