BDBM50308131 4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}-carbonyl)amino]cyclopropyl}benzoic Acid::CHEMBL597997

SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F

InChI Key InChIKey=QJZQFVRFJCGDKF-UHFFFAOYSA-N

Data  15 KI  3 IC50

Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50308131   

TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Merck Frosst Canada Ltd

US Patent
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi:  0.5nM ΔG°:  -12.7kcal/molepH: 6.0 T: 2°CAssay Description:Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Merck Frosst Canada Ltd

US Patent
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi:  0.560nMAssay Description:Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Rattus norvegicus)
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi:  0.700nMAssay Description:Displacement of [3H]PGE2 from rat EP4 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Merck Frosst Canada Ltd

US Patent
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi:  0.970nMAssay Description:Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting in presence of 10% human serumMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(RAT)
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi:  3.30E+3nMAssay Description:Displacement of [3H]PGE2 from rat EP3 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi: >3.90E+3nMAssay Description:Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi: >5.60E+3nMAssay Description:Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi:  5.90E+3nMAssay Description:Displacement of [3H]PGE2 from human EP2 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi: >6.80E+3nMAssay Description:Displacement of [3H]SQ29548 from human TP receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Rattus norvegicus)
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi:  7.20E+3nMAssay Description:Displacement of [3H]PGE2 from rat EP2 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi: >7.90E+3nMAssay Description:Displacement of [3H]PGE2 from human EP3 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi: >2.10E+4nMAssay Description:Displacement of [3H]PGD2 from human DP2 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi: >2.20E+4nMAssay Description:Displacement of [3H]iloprost from human IP receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin F2-alpha receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi: >2.40E+4nMAssay Description:Displacement of [3H]PGF2alpha from human FP receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Rattus norvegicus (Rat))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataKi: >2.90E+4nMAssay Description:Displacement of [3H]PGE2 from rat EP1 receptor expressed in HEK293-EBNA cells by scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Merck Frosst Canada Ltd

US Patent
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataIC50: 2.5nMAssay Description:Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximi...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Merck Frosst Canada Ltd

US Patent
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataIC50: 2.90nMAssay Description:Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximi...More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Merck Frosst Canada Ltd

US Patent
LigandPNGBDBM50308131(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Affinity DataIC50: 11nMAssay Description:Activity at EP4 receptor in human whole blood assessed as blockade of inhibition of TNFalpha-induced IP10 releaseMore data for this Ligand-Target Pair