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Compile Data Set for Download or QSAR

Found 600 hits with Last Name = 'morrow' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412728
PNG
(CHEMBL521523)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r|
Show InChI InChI=1S/C32H39FN4O/c1-23-21-37(15-14-35-23)22-27-5-3-6-28(18-27)30-19-26(8-9-31(30)33)20-36-32(38)29-7-2-4-25(17-29)16-24-10-12-34-13-11-24/h2-9,17-19,23-24,34-35H,10-16,20-22H2,1H3,(H,36,38)/t23-/m0/s1
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0.0316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 51: 5915-8 (2008)


Article DOI: 10.1021/jm800935u
BindingDB Entry DOI: 10.7270/Q21G0NHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414547
PNG
(CHEMBL558644)
Show SMILES CN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H14Cl2N4O2S/c1-24-7-8-26-14-6-5-10(9-13(14)24)16(25)21-18-23-22-17(27-18)15-11(19)3-2-4-12(15)20/h2-6,9H,7-8H2,1H3,(H,21,23,25)
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414549
PNG
(CHEMBL563480)
Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H16Cl2N4O2S/c1-2-25-8-9-27-15-7-6-11(10-14(15)25)17(26)22-19-24-23-18(28-19)16-12(20)4-3-5-13(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,24,26)
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M2 receptor expressed in CHO cells coexpressed with Gqi5 by scintillatio...


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414536
PNG
(CHEMBL551202)
Show SMILES Clc1cccc(Cl)c1-c1nnc(NC(=O)c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C17H11Cl2N3O3S/c18-10-2-1-3-11(19)14(10)16-21-22-17(26-16)20-15(23)9-4-5-12-13(8-9)25-7-6-24-12/h1-5,8H,6-7H2,(H,20,22,23)
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50384444
PNG
(CHEMBL2035510)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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3.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384444
PNG
(CHEMBL2035510)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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3.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414543
PNG
(CHEMBL550316)
Show SMILES CN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(C)cccc1C
Show InChI InChI=1S/C20H20N4O2S/c1-12-5-4-6-13(2)17(12)19-22-23-20(27-19)21-18(25)14-7-8-16-15(11-14)24(3)9-10-26-16/h4-8,11H,9-10H2,1-3H3,(H,21,23,25)
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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5.01n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human EP3


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483809
PNG
(CHEMBL1770337)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1cc(C)c([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O4/c1-12(2)22(20(26)24-21(27)28-22)17-10-13(3)18(23-19(17)25)16-9-8-14-6-4-5-7-15(14)11-16/h4-12H,1-3H3,(H,23,25)(H,24,26,27)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50414549
PNG
(CHEMBL563480)
Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H16Cl2N4O2S/c1-2-25-8-9-27-15-7-6-11(10-14(15)25)17(26)22-19-24-23-18(28-19)16-12(20)4-3-5-13(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,24,26)
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat EP3 receptor


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384445
PNG
(CHEMBL2035508)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)
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6.31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50417191
PNG
(CHEMBL1272136)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H19ClFN3O2/c1-2-14-6-3-7-15(12-14)24-21(28)25-19-10-5-11-26(20(19)27)13-16-17(22)8-4-9-18(16)23/h3-12H,2,13H2,1H3,(H2,24,25,28)
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483823
PNG
(CHEMBL1770341)
Show SMILES CC(C)[C@]1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)/t21-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483814
PNG
(CHEMBL1770319)
Show SMILES O=C1NC(=O)C(O1)(C1CCCC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N2O4/c26-20-18(23(17-7-3-4-8-17)21(27)25-22(28)29-23)11-12-19(24-20)16-10-9-14-5-1-2-6-15(14)13-16/h1-2,5-6,9-13,17H,3-4,7-8H2,(H,24,26)(H,25,27,28)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483821
PNG
(CHEMBL1770320)
Show SMILES O=C1NC(=O)C(O1)(C1CCCCC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C24H22N2O4/c27-21-19(24(18-8-2-1-3-9-18)22(28)26-23(29)30-24)12-13-20(25-21)17-11-10-15-6-4-5-7-16(15)14-17/h4-7,10-14,18H,1-3,8-9H2,(H,25,27)(H,26,28,29)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414548
PNG
(CHEMBL550055)
Show SMILES Clc1cccc(Cl)c1-c1nnc(NC(=O)c2ccc3OCCNc3c2)s1
Show InChI InChI=1S/C17H12Cl2N4O2S/c18-10-2-1-3-11(19)14(10)16-22-23-17(26-16)21-15(24)9-4-5-13-12(8-9)20-6-7-25-13/h1-5,8,20H,6-7H2,(H,21,23,24)
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50384445
PNG
(CHEMBL2035508)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)
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7.94n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414537
PNG
(CHEMBL554297)
Show SMILES COc1cc(Cl)c(-c2nnc(NC(=O)c3ccc4OCCOc4c3)s2)c(Cl)c1
Show InChI InChI=1S/C18H13Cl2N3O4S/c1-25-10-7-11(19)15(12(20)8-10)17-22-23-18(28-17)21-16(24)9-2-3-13-14(6-9)27-5-4-26-13/h2-3,6-8H,4-5H2,1H3,(H,21,23,24)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50384446
PNG
(CHEMBL2035509)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H20N2O4/c1-10(2)19(17(23)21-18(24)25-19)14-7-8-15(20-16(14)22)13-6-5-11(3)12(4)9-13/h5-10H,1-4H3,(H,20,22)(H,21,23,24)
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12.6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414533
PNG
(CHEMBL549437)
Show SMILES Cc1cccc(C)c1-c1nnc(NC(=O)c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C19H17N3O3S/c1-11-4-3-5-12(2)16(11)18-21-22-19(26-18)20-17(23)13-6-7-14-15(10-13)25-9-8-24-14/h3-7,10H,8-9H2,1-2H3,(H,20,22,23)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414544
PNG
(CHEMBL562329)
Show SMILES CN1CCOc2cc(ccc12)C(=O)Nc1nnc(s1)-c1c(C)cccc1C
Show InChI InChI=1S/C20H20N4O2S/c1-12-5-4-6-13(2)17(12)19-22-23-20(27-19)21-18(25)14-7-8-15-16(11-14)26-10-9-24(15)3/h4-8,11H,9-10H2,1-3H3,(H,21,23,25)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483827
PNG
(CHEMBL1770322)
Show SMILES O=C1NC(=O)C(Cc2ccccc2)(O1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H18N2O4/c28-22-20(25(23(29)27-24(30)31-25)15-16-6-2-1-3-7-16)12-13-21(26-22)19-11-10-17-8-4-5-9-18(17)14-19/h1-14H,15H2,(H,26,28)(H,27,29,30)
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414534
PNG
(CHEMBL564190)
Show SMILES Cc1cc(C)c(-c2nnc(NC(=O)c3ccc4OCCOc4c3)s2)c(C)c1
Show InChI InChI=1S/C20H19N3O3S/c1-11-8-12(2)17(13(3)9-11)19-22-23-20(27-19)21-18(24)14-4-5-15-16(10-14)26-7-6-25-15/h4-5,8-10H,6-7H2,1-3H3,(H,21,23,24)
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384446
PNG
(CHEMBL2035509)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H20N2O4/c1-10(2)19(17(23)21-18(24)25-19)14-7-8-15(20-16(14)22)13-6-5-11(3)12(4)9-13/h5-10H,1-4H3,(H,20,22)(H,21,23,24)
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19.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483812
PNG
(CHEMBL1770316)
Show SMILES CC1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H14N2O4/c1-19(17(23)21-18(24)25-19)14-8-9-15(20-16(14)22)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3,(H,20,22)(H,21,23,24)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483811
PNG
(CHEMBL1770340)
Show SMILES CC(C)[C@@]1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)/t21-/m1/s1
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50414542
PNG
(CHEMBL562994)
Show SMILES Cc1cccc(C)c1-c1nnc(NC(=O)c2ccc3CCCCc3c2)s1
Show InChI InChI=1S/C21H21N3OS/c1-13-6-5-7-14(2)18(13)20-23-24-21(26-20)22-19(25)17-11-10-15-8-3-4-9-16(15)12-17/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,24,25)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50329821
PNG
(1-(1-(2-chloro-6-fluorobenzyl)-2-oxo-1,2-dihydropy...)
Show SMILES COc1cccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)c1
Show InChI InChI=1S/C20H17ClFN3O3/c1-28-14-6-2-5-13(11-14)23-20(27)24-18-9-4-10-25(19(18)26)12-15-16(21)7-3-8-17(15)22/h2-11H,12H2,1H3,(H2,23,24,27)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483815
PNG
(CHEMBL1770321)
Show SMILES O=C1NC(=O)C(O1)(c1ccccc1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C24H16N2O4/c27-21-19(24(18-8-2-1-3-9-18)22(28)26-23(29)30-24)12-13-20(25-21)17-11-10-15-6-4-5-7-16(15)14-17/h1-14H,(H,25,27)(H,26,28,29)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Rattus norvegicus (Rat))
BDBM10042
PNG
((5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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38.2n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells


Mol Pharmacol 50: 738-42 (1996)


BindingDB Entry DOI: 10.7270/Q2MW2J7P
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483818
PNG
(CHEMBL1770328)
Show SMILES CC1(CNC(=O)N1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H17N3O2/c1-19(11-20-18(24)22-19)15-8-9-16(21-17(15)23)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,21,23)(H2,20,22,24)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483808
PNG
(CHEMBL1770336)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1cc(Br)c([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17BrN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-10-16(22)17(23-18(15)25)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483829
PNG
(CHEMBL1770335)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1cc(Cl)c([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17ClN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-10-16(22)17(23-18(15)25)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483813
PNG
(CHEMBL1770318)
Show SMILES O=C1NC(=O)C(O1)(C1CC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H16N2O4/c24-18-16(21(15-7-8-15)19(25)23-20(26)27-21)9-10-17(22-18)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,9-11,15H,7-8H2,(H,22,24)(H,23,25,26)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50417206
PNG
(CHEMBL1271527)
Show SMILES CC(C)c1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C22H22ClN3O2/c1-15(2)16-8-5-9-18(13-16)24-22(28)25-20-11-6-12-26(21(20)27)14-17-7-3-4-10-19(17)23/h3-13,15H,14H2,1-2H3,(H2,24,25,28)
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50245983
PNG
((2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m1/s1
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70n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2A1


(Rattus norvegicus (Rat))
BDBM50390997
PNG
(CHEMBL1561148)
Show SMILES CCCCC[C@H](O)C=CC1=C(CCCCCCC(O)=O)C(=O)CC1 |w:8.8,c:9|
Show InChI InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/t17-/m0/s1
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71.2n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells


Mol Pharmacol 50: 738-42 (1996)


BindingDB Entry DOI: 10.7270/Q2MW2J7P
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483822
PNG
(CHEMBL1770329)
Show SMILES CC1(CNC(=O)O1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H16N2O3/c1-19(11-20-18(23)24-19)15-8-9-16(21-17(15)22)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50296437
PNG
(CHEMBL557109 | N-(5-(pentan-3-yl)-1,3,4-thiadiazol...)
Show SMILES CCC(CC)c1nnc(NC(=O)c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C16H19N3O3S/c1-3-10(4-2)15-18-19-16(23-15)17-14(20)11-5-6-12-13(9-11)22-8-7-21-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19,20)
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 4292-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.074
BindingDB Entry DOI: 10.7270/Q2SQ90DS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50417190
PNG
(CHEMBL1272086)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3F)c2=O)c1
Show InChI InChI=1S/C21H20FN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50245937
PNG
((2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(p...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Br)c1 |r|
Show InChI InChI=1S/C25H26BrN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50246518
PNG
(((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C26H25F3N2O2/c1-3-22-17(2)24(30-19-9-5-4-6-10-19)21-11-7-8-12-23(21)31(22)25(32)18-13-15-20(16-14-18)33-26(27,28)29/h4-17,22,24,30H,3H2,1-2H3/t17-,22-,24+/m1/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50245772
PNG
((4-bromophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(phe...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C25H25BrN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
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