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BDBM50366143 CHEMBL1957430

SMILES: Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2ccc(s2)C(O)=O)c1

InChI Key: InChIKey=WPYAKNLHOYCWAN-AAXUHFPESA-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 = 50366143   
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))
BDBM50366143
PNG
(CHEMBL1957430)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C22H25NO4S2/c1-15-3-2-4-16(13-15)14-18(24)7-5-17-6-9-20(25)23(17)11-12-28-21-10-8-19(29-21)22(26)27/h2-5,7-8,10,13,17-18,24H,6,9,11-12,14H2,1H3,(H,26,27)/b7-5+/t17-,18+/m0/s1
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PC sid
UniChem
Article
PubMed
0.800n/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))
BDBM50366143
PNG
(CHEMBL1957430)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C22H25NO4S2/c1-15-3-2-4-16(13-15)14-18(24)7-5-17-6-9-20(25)23(17)11-12-28-21-10-8-19(29-21)22(26)27/h2-5,7-8,10,13,17-18,24H,6,9,11-12,14H2,1H3,(H,26,27)/b7-5+/t17-,18+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
91n/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))
BDBM50366143
PNG
(CHEMBL1957430)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C22H25NO4S2/c1-15-3-2-4-16(13-15)14-18(24)7-5-17-6-9-20(25)23(17)11-12-28-21-10-8-19(29-21)22(26)27/h2-5,7-8,10,13,17-18,24H,6,9,11-12,14H2,1H3,(H,26,27)/b7-5+/t17-,18+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
570n/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 EP1 Receptor


(Mus musculus (Mouse))
BDBM50366143
PNG
(CHEMBL1957430)
Show SMILES Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2ccc(s2)C(O)=O)c1 |r|
Show InChI InChI=1S/C22H25NO4S2/c1-15-3-2-4-16(13-15)14-18(24)7-5-17-6-9-20(25)23(17)11-12-28-21-10-8-19(29-21)22(26)27/h2-5,7-8,10,13,17-18,24H,6,9,11-12,14H2,1H3,(H,26,27)/b7-5+/t17-,18+/m0/s1
Reactome pathway
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PC cid
PC sid
UniChem
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