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BDBM50308132 2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cyclopropyl}-4-[4-(trifluoromethyl)benzyl]thiophene-3-carboxamide::CHEMBL598198

SMILES: Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=FMLJGBDOSCBJBZ-UHFFFAOYSA-N

Data: 9 KI  1 IC50

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 10 hits for monomerid = 50308132   
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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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PubMed
0.630n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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PubMed
>501n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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>501n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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>501n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGF2alpha from human FP receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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>501n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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>501n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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>501n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human IP receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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PubMed
>501n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29548 from human TP receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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PubMed
>2.90E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP2 receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximi...


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair