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Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'seto' and Initial = 's'   
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


(Rattus norvegicus (Rat))		BDBM50252472
PNG
(CHEMBL4085914)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCC=CC1)C(O)=O |c:23|
Show InChI InChI=1S/C18H17ClN4O2S/c1-11-7-14(17(24)25)21-23(11)10-12-8-13(19)9-15-16(12)20-18(26-15)22-5-3-2-4-6-22/h2-3,7-9H,4-6,10H2,1H3,(H,24,25)
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n/an/a 1.10n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50260732
PNG
(CHEMBL4105205)
Show SMILES COc1ccc2c(Cc3cccc(n3)C(O)=O)c(nn2c1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O3/c1-27-16-10-11-19-17(12-15-8-5-9-18(22-15)21(25)26)20(23-24(19)13-16)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in int...

Bioorg Med Chem Lett 27: 4044-4050 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.055
BindingDB Entry DOI: 10.7270/Q2PN983F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252483
PNG
(CHEMBL4081524)
Show SMILES CCN(CC)c1nc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2s1
Show InChI InChI=1S/C17H19ClN4O2S/c1-4-21(5-2)17-19-15-11(7-12(18)8-14(15)25-17)9-22-10(3)6-13(20-22)16(23)24/h6-8H,4-5,9H2,1-3H3,(H,23,24)
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n/an/a 6.20n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252452
PNG
(CHEMBL4074797)
Show SMILES OC(=O)c1ccc(Sc2cc(Cl)cc3sc(nc23)N2CCC=CC2)o1 |c:23|
Show InChI InChI=1S/C17H13ClN2O3S2/c18-10-8-12(24-14-5-4-11(23-14)16(21)22)15-13(9-10)25-17(19-15)20-6-2-1-3-7-20/h1-2,4-5,8-9H,3,6-7H2,(H,21,22)
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n/an/a 6.40n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50260740
PNG
(CHEMBL4100262)
Show SMILES OC(=O)c1cccc(Cc2c(nn3cc(Cl)ccc23)-c2ccccc2)n1
Show InChI InChI=1S/C20H14ClN3O2/c21-14-9-10-18-16(11-15-7-4-8-17(22-15)20(25)26)19(23-24(18)12-14)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,25,26)
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n/an/a 8n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in int...

Bioorg Med Chem Lett 27: 4044-4050 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.055
BindingDB Entry DOI: 10.7270/Q2PN983F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50240170
PNG
(CHEMBL4064816)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(nn12)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H15ClN4O2/c1-12-7-18(19(25)26)21-23(12)11-16-9-14(20)8-15-10-17(22-24(15)16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,26)
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n/an/a 9.40n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50240170
PNG
(CHEMBL4064816)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(nn12)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H15ClN4O2/c1-12-7-18(19(25)26)21-23(12)11-16-9-14(20)8-15-10-17(22-24(15)16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,26)
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n/an/a 9.40n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase

Bioorg Med Chem 25: 2635-2642 (2017)


Article DOI: 10.1016/j.bmc.2017.03.003
BindingDB Entry DOI: 10.7270/Q29Z9728
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252462
PNG
(CHEMBL4104333)
Show SMILES Cc1cc(nn1Cc1cc(C=C)cc2sc(nc12)N1CCC=CC1)C(O)=O |c:24|
Show InChI InChI=1S/C20H20N4O2S/c1-3-14-10-15(12-24-13(2)9-16(22-24)19(25)26)18-17(11-14)27-20(21-18)23-7-5-4-6-8-23/h3-5,9-11H,1,6-8,12H2,2H3,(H,25,26)
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n/an/a 9.90n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50362881
PNG
(CHEMBL1940907)
Show SMILES CC1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(cc(C(O)=O)c3=O)C11CCC1
Show InChI InChI=1S/C24H26FN5O4/c1-13-12-34-22-19(29-10-9-28-15-5-2-3-8-27-15)17(25)18(26)16-20(22)30(24(13)6-4-7-24)11-14(21(16)31)23(32)33/h2-3,5,8,11,13,29H,4,6-7,9-10,12,26H2,1H3,(H,27,28)(H,32,33)
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n/an/a 10n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay

Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50260656
PNG
(CHEMBL4083796)
Show SMILES OC(=O)c1cccc(Cc2c(nn3cc(Br)ccc23)-c2ccccc2)n1
Show InChI InChI=1S/C20H14BrN3O2/c21-14-9-10-18-16(11-15-7-4-8-17(22-15)20(25)26)19(23-24(18)12-14)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in int...

Bioorg Med Chem Lett 27: 4044-4050 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.055
BindingDB Entry DOI: 10.7270/Q2PN983F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50559468
PNG
(CHEMBL4757477)
Show SMILES CCOc1cc(ccc1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1)C(=O)N1CCC(CC1)N1CCCC1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ERK5 (unknown origin)

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354779
PNG
(CHEMBL1834330)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23
Show InChI InChI=1S/C23H24FN5O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-5-1-4-8-26-14)33-12-23(6-2-3-7-23)29(19)11-13(20(15)30)22(31)32/h1,4-5,8,11,28H,2-3,6-7,9-10,12,25H2,(H,26,27)(H,31,32)
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n/an/a 12n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354765
PNG
(CHEMBL1834315)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)cc2n(cc(C(O)=O)c(=O)c12)C1CC1
Show InChI InChI=1S/C20H20FN5O3/c21-17-13(23-7-8-25-15-3-1-2-6-24-15)9-14-16(18(17)22)19(27)12(20(28)29)10-26(14)11-4-5-11/h1-3,6,9-11,23H,4-5,7-8,22H2,(H,24,25)(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252484
PNG
(CHEMBL4059569)
Show SMILES CCN(C)c1nc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2s1
Show InChI InChI=1S/C16H17ClN4O2S/c1-4-20(3)16-18-14-10(6-11(17)7-13(14)24-16)8-21-9(2)5-12(19-21)15(22)23/h5-7H,4,8H2,1-3H3,(H,22,23)
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n/an/a 13n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50260658
PNG
(CHEMBL4091580)
Show SMILES OC(=O)c1cccc(Cc2c(nn3cc(ccc23)C(F)(F)F)-c2ccccc2)n1
Show InChI InChI=1S/C21H14F3N3O2/c22-21(23,24)14-9-10-18-16(11-15-7-4-8-17(25-15)20(28)29)19(26-27(18)12-14)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in int...

Bioorg Med Chem Lett 27: 4044-4050 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.055
BindingDB Entry DOI: 10.7270/Q2PN983F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252509
PNG
(CHEMBL4060696)
Show SMILES Cc1cc(nn1Cc1cc(F)cc2sc(nc12)N1CCC=CC1)C(O)=O |c:23|
Show InChI InChI=1S/C18H17FN4O2S/c1-11-7-14(17(24)25)21-23(11)10-12-8-13(19)9-15-16(12)20-18(26-15)22-5-3-2-4-6-22/h2-3,7-9H,4-6,10H2,1H3,(H,24,25)
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n/an/a 17n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50260657
PNG
(CHEMBL4062060)
Show SMILES Cc1ccc2c(Cc3cccc(n3)C(O)=O)c(nn2c1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-14-10-11-19-17(12-16-8-5-9-18(22-16)21(25)26)20(23-24(19)13-14)15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,25,26)
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n/an/a 19n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in int...

Bioorg Med Chem Lett 27: 4044-4050 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.055
BindingDB Entry DOI: 10.7270/Q2PN983F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50260660
PNG
(CHEMBL4088835)
Show SMILES OC(=O)c1cccc(Cc2c(nn3cc(C=C)ccc23)-c2ccccc2)n1
Show InChI InChI=1S/C22H17N3O2/c1-2-15-11-12-20-18(13-17-9-6-10-19(23-17)22(26)27)21(24-25(20)14-15)16-7-4-3-5-8-16/h2-12,14H,1,13H2,(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in int...

Bioorg Med Chem Lett 27: 4044-4050 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.055
BindingDB Entry DOI: 10.7270/Q2PN983F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252464
PNG
(CHEMBL4081022)
Show SMILES Cc1cc(nn1Cc1cc(Br)cc2sc(nc12)N1CCC=CC1)C(O)=O |c:23|
Show InChI InChI=1S/C18H17BrN4O2S/c1-11-7-14(17(24)25)21-23(11)10-12-8-13(19)9-15-16(12)20-18(26-15)22-5-3-2-4-6-22/h2-3,7-9H,4-6,10H2,1H3,(H,24,25)
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n/an/a 22n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354767
PNG
(CHEMBL1834318)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CCCC1
Show InChI InChI=1S/C22H23F2N5O3/c23-16-18(25)15-20(17(24)19(16)28-10-9-27-14-7-3-4-8-26-14)29(12-5-1-2-6-12)11-13(21(15)30)22(31)32/h3-4,7-8,11-12,28H,1-2,5-6,9-10,25H2,(H,26,27)(H,31,32)
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n/an/a 22n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		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 22n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase

Bioorg Med Chem 25: 2635-2642 (2017)


Article DOI: 10.1016/j.bmc.2017.03.003
BindingDB Entry DOI: 10.7270/Q29Z9728
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50260702
PNG
(CHEMBL4089536)
Show SMILES OC(=O)c1cccc(Cc2c(nn3cc(Cl)ccc23)-c2ccccc2)c1
Show InChI InChI=1S/C21H15ClN2O2/c22-17-9-10-19-18(12-14-5-4-8-16(11-14)21(25)26)20(23-24(19)13-17)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,25,26)
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n/an/a 29n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in int...

Bioorg Med Chem Lett 27: 4044-4050 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.055
BindingDB Entry DOI: 10.7270/Q2PN983F
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50325983
PNG
(6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...)
Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)
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n/an/a 30n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay

Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50325983
PNG
(6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...)
Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)
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n/an/a 30n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta

Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252510
PNG
(CHEMBL4076413)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCC=C(C)C1)C(O)=O |t:23|
Show InChI InChI=1S/C19H19ClN4O2S/c1-11-4-3-5-23(9-11)19-21-17-13(7-14(20)8-16(17)27-19)10-24-12(2)6-15(22-24)18(25)26/h4,6-8H,3,5,9-10H2,1-2H3,(H,25,26)
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n/an/a 30n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252481
PNG
(CHEMBL4079088)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCCC1)C(O)=O
Show InChI InChI=1S/C17H17ClN4O2S/c1-10-6-13(16(23)24)20-22(10)9-11-7-12(18)8-14-15(11)19-17(25-14)21-4-2-3-5-21/h6-8H,2-5,9H2,1H3,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354773
PNG
(CHEMBL1834324)
Show SMILES CC(C)[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|
Show InChI InChI=1S/C22H24FN5O4/c1-11(2)13-10-32-21-18(27-8-7-26-14-5-3-4-6-25-14)16(23)17(24)15-19(21)28(13)9-12(20(15)29)22(30)31/h3-6,9,11,13,27H,7-8,10,24H2,1-2H3,(H,25,26)(H,30,31)/t13-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252494
PNG
(CHEMBL4105272)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H14ClN3O2S/c1-11-7-15(19(24)25)22-23(11)10-13-8-14(20)9-16-17(13)21-18(26-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,24,25)
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n/an/a 31n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354764
PNG
(CHEMBL1834125)
Show SMILES COc1c(NCCNc2cccc3ccccc23)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C26H25FN4O4/c1-35-25-22(30-12-11-29-18-8-4-6-14-5-2-3-7-16(14)18)20(27)21(28)19-23(25)31(15-9-10-15)13-17(24(19)32)26(33)34/h2-8,13,15,29-30H,9-12,28H2,1H3,(H,33,34)
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n/an/a 31n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252465
PNG
(CHEMBL4088913)
Show SMILES Cc1cc(nn1Cc1cccc2sc(nc12)N1CCC=CC1)C(O)=O |c:22|
Show InChI InChI=1S/C18H18N4O2S/c1-12-10-14(17(23)24)20-22(12)11-13-6-5-7-15-16(13)19-18(25-15)21-8-3-2-4-9-21/h2-3,5-7,10H,4,8-9,11H2,1H3,(H,23,24)
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n/an/a 32n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252492
PNG
(CHEMBL4062313)
Show SMILES CC(=C)c1nc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2s1
Show InChI InChI=1S/C16H14ClN3O2S/c1-8(2)15-18-14-10(5-11(17)6-13(14)23-15)7-20-9(3)4-12(19-20)16(21)22/h4-6H,1,7H2,2-3H3,(H,21,22)
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n/an/a 33n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50362879
PNG
(CHEMBL1940905)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23
Show InChI InChI=1S/C23H24FN5O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-4-1-2-8-26-14)33-11-7-23(5-3-6-23)29(19)12-13(20(15)30)22(31)32/h1-2,4,8,12,28H,3,5-7,9-11,25H2,(H,26,27)(H,31,32)
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n/an/a 36n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay

Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50362880
PNG
(CHEMBL1940906)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CC3)n3cc(C(O)=O)c(=O)c1c23
Show InChI InChI=1S/C22H22FN5O4/c23-15-16(24)14-18-20(17(15)27-9-8-26-13-3-1-2-7-25-13)32-10-6-22(4-5-22)28(18)11-12(19(14)29)21(30)31/h1-3,7,11,27H,4-6,8-10,24H2,(H,25,26)(H,30,31)
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n/an/a 37n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay

Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252508
PNG
(CHEMBL4096603)
Show SMILES COc1cc(Cn2nc(cc2C)C(O)=O)c2nc(sc2c1)N1CCC=CC1 |c:27|
Show InChI InChI=1S/C19H20N4O3S/c1-12-8-15(18(24)25)21-23(12)11-13-9-14(26-2)10-16-17(13)20-19(27-16)22-6-4-3-5-7-22/h3-4,8-10H,5-7,11H2,1-2H3,(H,24,25)
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n/an/a 37n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252480
PNG
(CHEMBL4097108)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCCCC1)C(O)=O
Show InChI InChI=1S/C18H19ClN4O2S/c1-11-7-14(17(24)25)21-23(11)10-12-8-13(19)9-15-16(12)20-18(26-15)22-5-3-2-4-6-22/h7-9H,2-6,10H2,1H3,(H,24,25)
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n/an/a 43n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354772
PNG
(CHEMBL1834323)
Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|
Show InChI InChI=1S/C20H20FN5O4/c1-10-9-30-19-16(25-7-6-24-12-4-2-3-5-23-12)14(21)15(22)13-17(19)26(10)8-11(18(13)27)20(28)29/h2-5,8,10,25H,6-7,9,22H2,1H3,(H,23,24)(H,28,29)/t10-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354756
PNG
(CHEMBL1834117)
Show SMILES Nc1c(F)c(NCCCn2ccnc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1
Show InChI InChI=1S/C19H19F2N5O3/c20-13-15(22)12-17(26(10-2-3-10)8-11(18(12)27)19(28)29)14(21)16(13)24-4-1-6-25-7-5-23-9-25/h5,7-10,24H,1-4,6,22H2,(H,28,29)
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n/an/a 45n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354753
PNG
(CHEMBL1834114)
Show SMILES Nc1c(F)c(NCCCc2ccccc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1
Show InChI InChI=1S/C22H21F2N3O3/c23-16-18(25)15-20(27(13-8-9-13)11-14(21(15)28)22(29)30)17(24)19(16)26-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,11,13,26H,4,7-10,25H2,(H,29,30)
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n/an/a 45n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354757
PNG
(CHEMBL1834118)
Show SMILES Nc1c(F)c(NCCNc2cccc3ccccc23)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1
Show InChI InChI=1S/C25H22F2N4O3/c26-19-21(28)18-23(31(14-8-9-14)12-16(24(18)32)25(33)34)20(27)22(19)30-11-10-29-17-7-3-5-13-4-1-2-6-15(13)17/h1-7,12,14,29-30H,8-11,28H2,(H,33,34)
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n/an/a 47n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50260736
PNG
(CHEMBL4069600)
Show SMILES CC(C)(C)c1nn2cc(Cl)ccc2c1Cc1cccc(n1)C(O)=O
Show InChI InChI=1S/C18H18ClN3O2/c1-18(2,3)16-13(15-8-7-11(19)10-22(15)21-16)9-12-5-4-6-14(20-12)17(23)24/h4-8,10H,9H2,1-3H3,(H,23,24)
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n/an/a 48n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in int...

Bioorg Med Chem Lett 27: 4044-4050 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.055
BindingDB Entry DOI: 10.7270/Q2PN983F
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354775
PNG
(CHEMBL1834326)
Show SMILES CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C21H22FN5O4/c1-21(2)10-31-19-16(26-8-7-25-12-5-3-4-6-24-12)14(22)15(23)13-17(19)27(21)9-11(18(13)28)20(29)30/h3-6,9,26H,7-8,10,23H2,1-2H3,(H,24,25)(H,29,30)
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n/an/a 49n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252454
PNG
(CHEMBL4079668)
Show SMILES OC(=O)c1ccn(Cc2cc(Cl)cc3sc(nc23)N2CCC=CC2)n1 |c:23|
Show InChI InChI=1S/C17H15ClN4O2S/c18-12-8-11(10-22-7-4-13(20-22)16(23)24)15-14(9-12)25-17(19-15)21-5-2-1-3-6-21/h1-2,4,7-9H,3,5-6,10H2,(H,23,24)
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n/an/a 51n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354778
PNG
(CHEMBL1834329)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23
Show InChI InChI=1S/C22H22FN5O4/c23-15-16(24)14-18-20(17(15)27-9-8-26-13-4-1-2-7-25-13)32-11-22(5-3-6-22)28(18)10-12(19(14)29)21(30)31/h1-2,4,7,10,27H,3,5-6,8-9,11,24H2,(H,25,26)(H,30,31)
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n/an/a 57n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252453
PNG
(CHEMBL4066183)
Show SMILES OC(=O)c1ccc(Cc2cc(Cl)cc3sc(nc23)N2CCC=CC2)o1 |c:23|
Show InChI InChI=1S/C18H15ClN2O3S/c19-12-8-11(9-13-4-5-14(24-13)17(22)23)16-15(10-12)25-18(20-16)21-6-2-1-3-7-21/h1-2,4-5,8,10H,3,6-7,9H2,(H,22,23)
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n/an/a 60n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50260739
PNG
(CHEMBL4072169)
Show SMILES COc1ccc2c(Cc3ccc(o3)C(O)=O)c(nn2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O4/c1-25-15-7-9-17-16(11-14-8-10-18(26-14)20(23)24)19(21-22(17)12-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,23,24)
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n/an/a 60n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in int...

Bioorg Med Chem Lett 27: 4044-4050 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.055
BindingDB Entry DOI: 10.7270/Q2PN983F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252479
PNG
(CHEMBL4089322)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C17H17ClN4O3S/c1-10-6-13(16(23)24)20-22(10)9-11-7-12(18)8-14-15(11)19-17(26-14)21-2-4-25-5-3-21/h6-8H,2-5,9H2,1H3,(H,23,24)
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n/an/a 63n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252466
PNG
(CHEMBL4063118)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCC(C)=CC1)C(O)=O |c:24|
Show InChI InChI=1S/C19H19ClN4O2S/c1-11-3-5-23(6-4-11)19-21-17-13(8-14(20)9-16(17)27-19)10-24-12(2)7-15(22-24)18(25)26/h3,7-9H,4-6,10H2,1-2H3,(H,25,26)
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n/an/a 64n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50354762
PNG
(CHEMBL1834123)
Show SMILES COc1c(NCCCc2ccccc2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C23H24FN3O4/c1-31-22-19(26-11-5-8-13-6-3-2-4-7-13)17(24)18(25)16-20(22)27(14-9-10-14)12-15(21(16)28)23(29)30/h2-4,6-7,12,14,26H,5,8-11,25H2,1H3,(H,29,30)
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n/an/a 65n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay

Bioorg Med Chem Lett 21: 5948-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50252475
PNG
(CHEMBL4069825)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCSCC1)C(O)=O
Show InChI InChI=1S/C17H17ClN4O2S2/c1-10-6-13(16(23)24)20-22(10)9-11-7-12(18)8-14-15(11)19-17(26-14)21-2-4-25-5-3-21/h6-8H,2-5,9H2,1H3,(H,23,24)
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n/an/a 66n/an/an/an/an/an/a



Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i...

Bioorg Med Chem 25: 3406-3430 (2017)


Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Rattus norvegicus (Rat))		BDBM50240166
PNG
(CHEMBL4060959)
Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(nn12)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C19H21ClN4O2/c1-12-7-18(19(25)26)21-23(12)11-16-9-14(20)8-15-10-17(22-24(15)16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,25,26)
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n/an/a 71n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase

Bioorg Med Chem 25: 2635-2642 (2017)


Article DOI: 10.1016/j.bmc.2017.03.003
BindingDB Entry DOI: 10.7270/Q29Z9728
More data for this
Ligand-Target Pair
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