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BDBM50360623 CHEMBL1933719

SMILES: Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)c1

InChI Key: InChIKey=VTDHRWSAWWRCQP-HKBUGEINSA-N

Data: 8 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 8 hits for monomerid = 50360623   
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))
BDBM50360623
PNG
(CHEMBL1933719)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-16-4-2-5-17(14-16)15-19(25)9-7-18-8-12-22(26)24(18)13-3-6-20-10-11-21(29-20)23(27)28/h2,4-5,7,9-11,14,18-19,25H,3,6,8,12-13,15H2,1H3,(H,27,28)/b9-7+/t18-,19+/m0/s1
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PubMed
0.600n/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 liquid scintillation counting


Bioorg Med Chem Lett 22: 396-401 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.109
BindingDB Entry DOI: 10.7270/Q27P8ZT2
More data for this
Ligand-Target Pair
Prostanoid EP4 Receptor


(Mus musculus (Mouse))
BDBM50360623
PNG
(CHEMBL1933719)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-16-4-2-5-17(14-16)15-19(25)9-7-18-8-12-22(26)24(18)13-3-6-20-10-11-21(29-20)23(27)28/h2,4-5,7,9-11,14,18-19,25H,3,6,8,12-13,15H2,1H3,(H,27,28)/b9-7+/t18-,19+/m0/s1
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PubMed
0.600n/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))
BDBM50360623
PNG
(CHEMBL1933719)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-16-4-2-5-17(14-16)15-19(25)9-7-18-8-12-22(26)24(18)13-3-6-20-10-11-21(29-20)23(27)28/h2,4-5,7,9-11,14,18-19,25H,3,6,8,12-13,15H2,1H3,(H,27,28)/b9-7+/t18-,19+/m0/s1
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PubMed
127n/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 liquid scintillation counting


Bioorg Med Chem Lett 22: 396-401 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.109
BindingDB Entry DOI: 10.7270/Q27P8ZT2
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50360623
PNG
(CHEMBL1933719)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-16-4-2-5-17(14-16)15-19(25)9-7-18-8-12-22(26)24(18)13-3-6-20-10-11-21(29-20)23(27)28/h2,4-5,7,9-11,14,18-19,25H,3,6,8,12-13,15H2,1H3,(H,27,28)/b9-7+/t18-,19+/m0/s1
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127n/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 EP3 Receptor


(Mus musculus (Mouse))
BDBM50360623
PNG
(CHEMBL1933719)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-16-4-2-5-17(14-16)15-19(25)9-7-18-8-12-22(26)24(18)13-3-6-20-10-11-21(29-20)23(27)28/h2,4-5,7,9-11,14,18-19,25H,3,6,8,12-13,15H2,1H3,(H,27,28)/b9-7+/t18-,19+/m0/s1
UniProtKB/SwissProt

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PC sid
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Article
PubMed
1.60E+3n/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
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50360623
PNG
(CHEMBL1933719)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-16-4-2-5-17(14-16)15-19(25)9-7-18-8-12-22(26)24(18)13-3-6-20-10-11-21(29-20)23(27)28/h2,4-5,7,9-11,14,18-19,25H,3,6,8,12-13,15H2,1H3,(H,27,28)/b9-7+/t18-,19+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.60E+3n/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 liquid scintillation counting


Bioorg Med Chem Lett 22: 396-401 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.109
BindingDB Entry DOI: 10.7270/Q27P8ZT2
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50360623
PNG
(CHEMBL1933719)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-16-4-2-5-17(14-16)15-19(25)9-7-18-8-12-22(26)24(18)13-3-6-20-10-11-21(29-20)23(27)28/h2,4-5,7,9-11,14,18-19,25H,3,6,8,12-13,15H2,1H3,(H,27,28)/b9-7+/t18-,19+/m0/s1
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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 EP1 Receptor


(Mus musculus (Mouse))
BDBM50360623
PNG
(CHEMBL1933719)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C23H27NO4S/c1-16-4-2-5-17(14-16)15-19(25)9-7-18-8-12-22(26)24(18)13-3-6-20-10-11-21(29-20)23(27)28/h2,4-5,7,9-11,14,18-19,25H,3,6,8,12-13,15H2,1H3,(H,27,28)/b9-7+/t18-,19+/m0/s1
Reactome pathway
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PC sid
UniChem

Patents


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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 20 mins by liquid scintillation counting


Bioorg Med Chem Lett 22: 396-401 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.109
BindingDB Entry DOI: 10.7270/Q27P8ZT2
More data for this
Ligand-Target Pair