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BDBM50385119 CHEMBL2036309

SMILES: O[C@@H](Cc1cccc(c1)-c1ccccn1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O

InChI Key: InChIKey=KPLWANAFZOCKMN-DGTKXHRPNA-N

Data: 4 KI  1 EC50

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 5 hits for monomerid = 50385119   
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))
BDBM50385119
PNG
(CHEMBL2036309)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccccn1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
Show InChI InChI=1/C25H30N2O4S/c28-22(18-19-5-3-6-20(17-19)23-7-1-2-13-26-23)11-9-21-10-12-24(29)27(21)14-16-32-15-4-8-25(30)31/h1-3,5-7,9,11,13,17,21-22,28H,4,8,10,12,14-16,18H2,(H,30,31)/b11-9+/t21-,22+/s2
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PubMed
4.80n/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: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50385119
PNG
(CHEMBL2036309)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccccn1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
Show InChI InChI=1/C25H30N2O4S/c28-22(18-19-5-3-6-20(17-19)23-7-1-2-13-26-23)11-9-21-10-12-24(29)27(21)14-16-32-15-4-8-25(30)31/h1-3,5-7,9,11,13,17,21-22,28H,4,8,10,12,14-16,18H2,(H,30,31)/b11-9+/t21-,22+/s2
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6.10E+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: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50385119
PNG
(CHEMBL2036309)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccccn1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
Show InChI InChI=1/C25H30N2O4S/c28-22(18-19-5-3-6-20(17-19)23-7-1-2-13-26-23)11-9-21-10-12-24(29)27(21)14-16-32-15-4-8-25(30)31/h1-3,5-7,9,11,13,17,21-22,28H,4,8,10,12,14-16,18H2,(H,30,31)/b11-9+/t21-,22+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50385119
PNG
(CHEMBL2036309)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccccn1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
Show InChI InChI=1/C25H30N2O4S/c28-22(18-19-5-3-6-20(17-19)23-7-1-2-13-26-23)11-9-21-10-12-24(29)27(21)14-16-32-15-4-8-25(30)31/h1-3,5-7,9,11,13,17,21-22,28H,4,8,10,12,14-16,18H2,(H,30,31)/b11-9+/t21-,22+/s2
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>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 20 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50385119
PNG
(CHEMBL2036309)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccccn1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
Show InChI InChI=1/C25H30N2O4S/c28-22(18-19-5-3-6-20(17-19)23-7-1-2-13-26-23)11-9-21-10-12-24(29)27(21)14-16-32-15-4-8-25(30)31/h1-3,5-7,9,11,13,17,21-22,28H,4,8,10,12,14-16,18H2,(H,30,31)/b11-9+/t21-,22+/s2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 86n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat EP4 receptor expressed in CHO cells assessed as cAMP production after 10 mins by radioimmunoassay


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair