BDBM50360164 CHEMBL1929531

SMILES CCc1cccc(C[C@H](O)\C=C\[C@H]2COC(=O)N2CCSCCCC(O)=O)c1

InChI Key InChIKey=IRIPWGCQFPPQHK-WARJXXDVSA-N

Data  4 KI  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50360164   

TargetProstaglandin E2 receptor EP4 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50360164(CHEMBL1929531)
Show SMILES CCc1cccc(C[C@H](O)\C=C\[C@H]2COC(=O)N2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C21H29NO5S/c1-2-16-5-3-6-17(13-16)14-19(23)9-8-18-15-27-21(26)22(18)10-12-28-11-4-7-20(24)25/h3,5-6,8-9,13,18-19,23H,2,4,7,10-12,14-15H2,1H3,(H,24,25)/b9-8+/t18-,19+/m0/s1
Affinity DataKi:  7.90nMAssay Description:Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counterChecked by AuthorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50360164(CHEMBL1929531)
Show SMILES CCc1cccc(C[C@H](O)\C=C\[C@H]2COC(=O)N2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C21H29NO5S/c1-2-16-5-3-6-17(13-16)14-19(23)9-8-18-15-27-21(26)22(18)10-12-28-11-4-7-20(24)25/h3,5-6,8-9,13,18-19,23H,2,4,7,10-12,14-15H2,1H3,(H,24,25)/b9-8+/t18-,19+/m0/s1
Affinity DataKi:  2.40E+3nMAssay Description:Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counterChecked by AuthorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50360164(CHEMBL1929531)
Show SMILES CCc1cccc(C[C@H](O)\C=C\[C@H]2COC(=O)N2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C21H29NO5S/c1-2-16-5-3-6-17(13-16)14-19(23)9-8-18-15-27-21(26)22(18)10-12-28-11-4-7-20(24)25/h3,5-6,8-9,13,18-19,23H,2,4,7,10-12,14-15H2,1H3,(H,24,25)/b9-8+/t18-,19+/m0/s1
Affinity DataKi:  2.70E+3nMAssay Description:Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by liquid scintillation counterChecked by AuthorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Mus musculus (Mouse))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50360164(CHEMBL1929531)
Show SMILES CCc1cccc(C[C@H](O)\C=C\[C@H]2COC(=O)N2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C21H29NO5S/c1-2-16-5-3-6-17(13-16)14-19(23)9-8-18-15-27-21(26)22(18)10-12-28-11-4-7-20(24)25/h3,5-6,8-9,13,18-19,23H,2,4,7,10-12,14-15H2,1H3,(H,24,25)/b9-8+/t18-,19+/m0/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counterChecked by AuthorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Rattus norvegicus)
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50360164(CHEMBL1929531)
Show SMILES CCc1cccc(C[C@H](O)\C=C\[C@H]2COC(=O)N2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C21H29NO5S/c1-2-16-5-3-6-17(13-16)14-19(23)9-8-18-15-27-21(26)22(18)10-12-28-11-4-7-20(24)25/h3,5-6,8-9,13,18-19,23H,2,4,7,10-12,14-15H2,1H3,(H,24,25)/b9-8+/t18-,19+/m0/s1
Affinity DataEC50:  18nMAssay Description:Agonist activity at rat EP4 receptor expressed in CHO cells assessed as cAMP production after 10 mins by radioimmunoassayChecked by AuthorMore data for this Ligand-Target Pair