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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50041956   
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
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419411
PNG
(CHEMBL1915012)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1
Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)
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PubMed
0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EP1 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobiliz...


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50419411
PNG
(CHEMBL1915012)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1
Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EP3 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobiliz...


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419410
PNG
(CHEMBL1915252)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H15ClN2O3/c1-12-7-17(20(24)25)22-23(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419415
PNG
(CHEMBL1915015)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C20H21ClN2O3/c1-12-7-17(20(24)25)22-23(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,24,25)
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419411
PNG
(CHEMBL1915012)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1
Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419417
PNG
(CHEMBL1915254)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C20H16ClN3O2/c1-12-7-17(20(22)25)23-24(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,22,25)
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419403
PNG
(CHEMBL1914467)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NC1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-14-9-20(23(28)25-19-7-8-19)26-27(14)13-17-11-18(24)10-16-12-21(29-22(16)17)15-5-3-2-4-6-15/h2-6,9-12,19H,7-8,13H2,1H3,(H,25,28)
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419419
PNG
(CHEMBL1915262)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NC[C@H]1CCCO1 |r|
Show InChI InChI=1S/C25H24ClN3O3/c1-16-10-22(25(30)27-14-21-8-5-9-31-21)28-29(16)15-19-12-20(26)11-18-13-23(32-24(18)19)17-6-3-2-4-7-17/h2-4,6-7,10-13,21H,5,8-9,14-15H2,1H3,(H,27,30)/t21-/m1/s1
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419408
PNG
(CHEMBL1915261)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,wD:29.33,(19.51,-3.15,;19.53,-1.54,;21.04,-1.85,;21.81,-.51,;20.77,.63,;19.36,-.01,;18.02,.76,;16.69,-.02,;15.36,.75,;14.03,-.02,;12.69,.75,;14.03,-1.57,;15.36,-2.34,;15.68,-3.85,;17.21,-4.01,;17.84,-2.6,;16.7,-1.57,;17.98,-5.35,;17.2,-6.67,;17.96,-8.01,;19.51,-8.01,;20.28,-6.67,;19.51,-5.34,;23.34,-.35,;23.96,1.06,;24.25,-1.59,;25.78,-1.59,;26.55,-.26,;28.09,-.26,;28.85,-1.59,;30.39,-1.6,;28.08,-2.92,;26.55,-2.92,)|
Show InChI InChI=1S/C26H26ClN3O3/c1-16-11-23(26(32)28-21-7-9-22(31)10-8-21)29-30(16)15-19-13-20(27)12-18-14-24(33-25(18)19)17-5-3-2-4-6-17/h2-6,11-14,21-22,31H,7-10,15H2,1H3,(H,28,32)/t21-,22-
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n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419401
PNG
(CHEMBL1915253)
Show SMILES CC(C)NC(=O)c1cc(C)n(Cc2cc(Cl)cc3cc(oc23)-c2ccccc2)n1
Show InChI InChI=1S/C23H22ClN3O2/c1-14(2)25-23(28)20-9-15(3)27(26-20)13-18-11-19(24)10-17-12-21(29-22(17)18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,25,28)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419402
PNG
(CHEMBL1915255)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C24H24ClN3O2/c1-15-10-20(23(29)26-24(2,3)4)27-28(15)14-18-12-19(25)11-17-13-21(30-22(17)18)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419416
PNG
(CHEMBL1915264)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NN1CCOCC1
Show InChI InChI=1S/C24H23ClN4O3/c1-16-11-21(24(30)27-28-7-9-31-10-8-28)26-29(16)15-19-13-20(25)12-18-14-22(32-23(18)19)17-5-3-2-4-6-17/h2-6,11-14H,7-10,15H2,1H3,(H,27,30)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419404
PNG
(CHEMBL1915256)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NCC1CCNCC1
Show InChI InChI=1S/C26H27ClN4O2/c1-17-11-23(26(32)29-15-18-7-9-28-10-8-18)30-31(17)16-21-13-22(27)12-20-14-24(33-25(20)21)19-5-3-2-4-6-19/h2-6,11-14,18,28H,7-10,15-16H2,1H3,(H,29,32)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419407
PNG
(CHEMBL1915260)
Show SMILES Cc1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClF3N4O2/c1-17-11-24(32-26(36)19-7-9-34(10-8-19)16-27(29,30)31)33-35(17)15-21-13-22(28)12-20-14-23(37-25(20)21)18-5-3-2-4-6-18/h2-6,11-14,19H,7-10,15-16H2,1H3,(H,32,33,36)
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419413
PNG
(CHEMBL1915014)
Show SMILES CCCc1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1
Show InChI InChI=1S/C17H17ClN2O3/c1-3-4-14-8-11-6-13(18)7-12(16(11)23-14)9-20-10(2)5-15(19-20)17(21)22/h5-8H,3-4,9H2,1-2H3,(H,21,22)
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419409
PNG
(CHEMBL1915263)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NCC(O)C(F)(F)F
Show InChI InChI=1S/C23H19ClF3N3O3/c1-13-7-18(22(32)28-11-20(31)23(25,26)27)29-30(13)12-16-9-17(24)8-15-10-19(33-21(15)16)14-5-3-2-4-6-14/h2-10,20,31H,11-12H2,1H3,(H,28,32)
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419406
PNG
(CHEMBL1915259)
Show SMILES Cc1cc(NC(=O)C2(F)CCNCC2)nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C25H24ClFN4O2/c1-16-11-22(29-24(32)25(27)7-9-28-10-8-25)30-31(16)15-19-13-20(26)12-18-14-21(33-23(18)19)17-5-3-2-4-6-17/h2-6,11-14,28H,7-10,15H2,1H3,(H,29,30,32)
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PubMed
n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419420
PNG
(CHEMBL1915245)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)-c3nc4ccccc4[nH]3)c2o1
Show InChI InChI=1S/C23H21ClN4O/c1-13(2)21-11-15-9-17(24)10-16(22(15)29-21)12-28-14(3)8-20(27-28)23-25-18-6-4-5-7-19(18)26-23/h4-11,13H,12H2,1-3H3,(H,25,26)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419421
PNG
(CHEMBL1915251)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(=O)NN3CCOCC3)c2o1
Show InChI InChI=1S/C21H25ClN4O3/c1-13(2)19-11-15-9-17(22)10-16(20(15)29-19)12-26-14(3)8-18(23-26)21(27)24-25-4-6-28-7-5-25/h8-11,13H,4-7,12H2,1-3H3,(H,24,27)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419412
PNG
(CHEMBL1915013)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)C1CC1)C(O)=O
Show InChI InChI=1S/C17H15ClN2O3/c1-9-4-14(17(21)22)19-20(9)8-12-6-13(18)5-11-7-15(10-2-3-10)23-16(11)12/h4-7,10H,2-3,8H2,1H3,(H,21,22)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419397
PNG
(CHEMBL1915247)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(=O)NC3CCOCC3)c2o1
Show InChI InChI=1S/C22H26ClN3O3/c1-13(2)20-11-15-9-17(23)10-16(21(15)29-20)12-26-14(3)8-19(25-26)22(27)24-18-4-6-28-7-5-18/h8-11,13,18H,4-7,12H2,1-3H3,(H,24,27)
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419414
PNG
(CHEMBL1915016)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C18H19ClN2O3/c1-10-5-14(17(22)23)20-21(10)9-12-7-13(19)6-11-8-15(18(2,3)4)24-16(11)12/h5-8H,9H2,1-4H3,(H,22,23)
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419396
PNG
(CHEMBL1915246)
Show SMILES CNCc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)cc4cc(oc34)C(C)C)n2)cc1
Show InChI InChI=1S/C25H27ClN4O2/c1-15(2)23-12-18-10-20(26)11-19(24(18)32-23)14-30-16(3)9-22(29-30)25(31)28-21-7-5-17(6-8-21)13-27-4/h5-12,15,27H,13-14H2,1-4H3,(H,28,31)
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419418
PNG
(CHEMBL1915257)
Show SMILES Cc1cc(NC(=O)CC2CCNCC2)nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C26H27ClN4O2/c1-17-11-24(29-25(32)12-18-7-9-28-10-8-18)30-31(17)16-21-14-22(27)13-20-15-23(33-26(20)21)19-5-3-2-4-6-19/h2-6,11,13-15,18,28H,7-10,12,16H2,1H3,(H,29,30,32)
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419400
PNG
(CHEMBL1915250)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(=O)NN3CCCCC3)c2o1
Show InChI InChI=1S/C22H27ClN4O2/c1-14(2)20-12-16-10-18(23)11-17(21(16)29-20)13-27-15(3)9-19(24-27)22(28)25-26-7-5-4-6-8-26/h9-12,14H,4-8,13H2,1-3H3,(H,25,28)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419405
PNG
(CHEMBL1915258)
Show SMILES Cc1cc(NC(=O)C2CCNCC2)nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-16-11-23(28-25(31)18-7-9-27-10-8-18)29-30(16)15-20-13-21(26)12-19-14-22(32-24(19)20)17-5-3-2-4-6-17/h2-6,11-14,18,27H,7-10,15H2,1H3,(H,28,29,31)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419392
PNG
(CHEMBL1915018)
Show SMILES CC(C)c1cc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cn2c1
Show InChI InChI=1S/C17H18ClN3O2/c1-10(2)12-6-16-13(5-14(18)9-20(16)7-12)8-21-11(3)4-15(19-21)17(22)23/h4-7,9-10H,8H2,1-3H3,(H,22,23)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419391
PNG
(CHEMBL1915017)
Show SMILES CC(C)c1cc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2o1
Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-13-11(5-12(18)6-16(13)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419398
PNG
(CHEMBL1915248)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(C)n(Cc2cc(Cl)cc3cc(oc23)C(C)C)n1 |r,wU:5.8,wD:2.1,(11.23,-13.1,;10.32,-11.85,;8.79,-12.01,;7.88,-10.77,;6.34,-10.93,;5.73,-12.34,;6.64,-13.58,;8.16,-13.42,;4.2,-12.51,;3.29,-11.27,;3.91,-9.86,;1.76,-11.43,;1,-12.77,;-.51,-12.46,;-.51,-14,;-.68,-10.93,;-2.02,-10.16,;-3.35,-10.94,;-4.69,-10.17,;-6.01,-10.94,;-7.35,-10.17,;-6.02,-12.49,;-4.68,-13.26,;-4.37,-14.77,;-2.83,-14.93,;-2.2,-13.52,;-3.35,-12.49,;-2.06,-16.27,;-2.84,-17.6,;-.52,-16.27,;.73,-10.29,)|
Show InChI InChI=1S/C24H30ClN3O3/c1-14(2)22-12-16-10-18(25)11-17(23(16)31-22)13-28-15(3)9-21(27-28)24(29)26-19-5-7-20(30-4)8-6-19/h9-12,14,19-20H,5-8,13H2,1-4H3,(H,26,29)/t19-,20-
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419393
PNG
(CHEMBL1915019)
Show SMILES CC(C)c1cn2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2n1
Show InChI InChI=1S/C16H17ClN4O2/c1-9(2)14-8-20-7-12(17)5-11(15(20)18-14)6-21-10(3)4-13(19-21)16(22)23/h4-5,7-9H,6H2,1-3H3,(H,22,23)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419399
PNG
(CHEMBL1915249)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(=O)NC3CCNCC3)c2o1
Show InChI InChI=1S/C22H27ClN4O2/c1-13(2)20-11-15-9-17(23)10-16(21(15)29-20)12-27-14(3)8-19(26-27)22(28)25-18-4-6-24-7-5-18/h8-11,13,18,24H,4-7,12H2,1-3H3,(H,25,28)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419395
PNG
(CHEMBL1915244)
Show SMILES CC(C)c1cc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cn2n1
Show InChI InChI=1S/C16H17ClN4O2/c1-9(2)13-6-15-11(5-12(17)8-21(15)18-13)7-20-10(3)4-14(19-20)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50419394
PNG
(CHEMBL1915243)
Show SMILES CC(C)c1cn2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2n1
Show InChI InChI=1S/C16H17ClN4O2/c1-9(2)14-8-20-12(5-11(17)6-15(20)18-14)7-21-10(3)4-13(19-21)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair