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BDBM50107283 AAT-007::CJ-023::GRAPIPRANT::Grapiprant::MR-10A7::RQ-00000007::RQ-7

SMILES: CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

InChI Key: InChIKey=HZVLFTCYCLXTGV-UHFFFAOYSA-N

Data: 10 KI  6 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 16 hits for monomerid = 50107283   
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))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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13n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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20n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E receptor 4


(Canis lupus familiaris)
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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24n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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449n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from recombinant human EP4 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analy...


Bioorg Med Chem Lett 25: 3176-8 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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>5.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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AskAt Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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>5.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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>5.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha reduction preincubated for 3...


Bioorg Med Chem Lett 25: 3176-8 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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n/an/a 689n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from recombinant human EP4 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analy...


Bioorg Med Chem Lett 25: 3176-8 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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n/an/a 12n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP accumulation by scinti...


Bioorg Med Chem Lett 25: 3176-8 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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n/an/a 12n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human EP4 expressed in HEK293 cells assessed as inhibition of PGE2-stimulated production of cAMP incubated for 20 mins by...


Bioorg Med Chem Lett 26: 2303-7 (2016)


BindingDB Entry DOI: 10.7270/Q22F7QBJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against EP4 in human whole blood assessed as reversal of PGE2-mediated suppression of LPS-induced TNF-alpha production preincubat...


Bioorg Med Chem Lett 26: 2303-7 (2016)


BindingDB Entry DOI: 10.7270/Q22F7QBJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair