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Compile Data Set for Download or QSAR

Found 1710 hits with Last Name = 'zhou' and Initial = 'n'   
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
Cathepsin S


(Homo sapiens (Human))
BDBM50121904
PNG
(CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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n/an/a 0n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205995
PNG
(US9255098, Ex. 1 | US9255098, Ex. 4)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4cc(F)ccc4s3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1/C23H24FN7O2S/c1-3-4-10-30-19-20(27-22(30)29-9-5-6-15(25)12-29)28(2)23(33)31(21(19)32)13-18-26-16-11-14(24)7-8-17(16)34-18/h7-8,11,15H,5-6,9-10,12-13,25H2,1-2H3/t15-/s2
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n/an/a 0.0500n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205995
PNG
(US9255098, Ex. 1 | US9255098, Ex. 4)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4cc(F)ccc4s3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1/C23H24FN7O2S/c1-3-4-10-30-19-20(27-22(30)29-9-5-6-15(25)12-29)28(2)23(33)31(21(19)32)13-18-26-16-11-14(24)7-8-17(16)34-18/h7-8,11,15H,5-6,9-10,12-13,25H2,1-2H3/t15-/s2
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n/an/a 0.0800n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205996
PNG
(US9255098, Ex. 2 | US9255098, Ex. 5)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4ccccc4s3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1/C23H25N7O2S/c1-3-4-12-29-19-20(26-22(29)28-11-7-8-15(24)13-28)27(2)23(32)30(21(19)31)14-18-25-16-9-5-6-10-17(16)33-18/h5-6,9-10,15H,7-8,11-14,24H2,1-2H3/t15-/s2
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n/an/a 0.100n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315482
PNG
(CHEMBL1093897 | N-(3-chlorophenylsulfonyl)-3-(3,3-...)
Show SMILES FC1(F)C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C28H19ClF2N2O4S/c29-22-8-4-9-23(16-22)38(36,37)32-25(34)14-13-20-7-3-10-24-26(20)33(27(35)28(24,30)31)17-18-11-12-19-5-1-2-6-21(19)15-18/h1-16H,17H2,(H,32,34)/b14-13+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121907
PNG
(CHEMBL31788 | [(S)-1-((3R,4S)-2-Oxo-4-phenylsulfan...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50121902
PNG
(CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1
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currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205996
PNG
(US9255098, Ex. 2 | US9255098, Ex. 5)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4ccccc4s3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1/C23H25N7O2S/c1-3-4-12-29-19-20(26-22(29)28-11-7-8-15(24)13-28)27(2)23(32)30(21(19)31)14-18-25-16-9-5-6-10-17(16)33-18/h5-6,9-10,15H,7-8,11-14,24H2,1-2H3/t15-/s2
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n/an/a 0.150n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315471
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F
Show InChI InChI=1S/C24H13Cl2F5N2O4S/c25-14-6-4-13(16(26)8-14)11-33-22-12(2-1-3-15(22)24(30,31)23(33)35)5-7-21(34)32-38(36,37)20-10-18(28)17(27)9-19(20)29/h1-10H,11H2,(H,32,34)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315493
PNG
(3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(2,...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C24H15Cl2F3N2O4S/c25-16-6-4-15(17(26)9-16)12-31-23(33)8-14-3-1-2-13(24(14)31)5-7-22(32)30-36(34,35)21-11-19(28)18(27)10-20(21)29/h1-7,9-11H,8,12H2,(H,30,32)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315480
PNG
(3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoind...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F
Show InChI InChI=1S/C28H18F4N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315476
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F
Show InChI InChI=1S/C24H15Cl2F3N2O4S/c25-16-6-4-15(20(26)12-16)13-31-22-14(2-1-3-19(22)24(28,29)23(31)33)5-11-21(32)30-36(34,35)18-9-7-17(27)8-10-18/h1-12H,13H2,(H,30,32)/b11-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315474
PNG
(CHEMBL1089095 | N-(3-chlorophenylsulfonyl)-3-(1-(2...)
Show SMILES FC1(F)C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H15Cl3F2N2O4S/c25-16-4-2-5-18(11-16)36(34,35)30-21(32)10-8-14-3-1-6-19-22(14)31(23(33)24(19,28)29)13-15-7-9-17(26)12-20(15)27/h1-12H,13H2,(H,30,32)/b10-8+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315473
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES FC1(F)C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H14Cl4F2N2O4S/c25-15-6-4-14(19(27)10-15)12-32-22-13(2-1-3-17(22)24(29,30)23(32)34)5-9-21(33)31-37(35,36)16-7-8-18(26)20(28)11-16/h1-11H,12H2,(H,31,33)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315472
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F
Show InChI InChI=1S/C24H14Cl2F4N2O4S/c25-15-6-4-14(18(26)10-15)12-32-22-13(2-1-3-17(22)24(29,30)23(32)34)5-9-21(33)31-37(35,36)16-7-8-19(27)20(28)11-16/h1-11H,12H2,(H,31,33)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205997
PNG
(US9255098, Ex. 3)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4cc(Cl)ccc4s3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1/C23H24ClN7O2S/c1-3-4-10-30-19-20(27-22(30)29-9-5-6-15(25)12-29)28(2)23(33)31(21(19)32)13-18-26-16-11-14(24)7-8-17(16)34-18/h7-8,11,15H,5-6,9-10,12-13,25H2,1-2H3/t15-/s2
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Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254766
PNG
(2-(3-(2,4-dichlorophenylthio)-1H-indol-4-yloxy)-N-...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H12Cl4N2O4S3/c21-10-4-5-15(11(22)6-10)31-16-8-25-13-2-1-3-14(19(13)16)30-9-17(27)26-33(28,29)18-7-12(23)20(24)32-18/h1-8,25H,9H2,(H,26,27)
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deCODE Chemistry, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254687
PNG
(CHEMBL464032 | N-(4,5-dichlorothiophen-2-ylsulfony...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C24H16Cl2N2O4S3/c25-17-11-22(34-24(17)26)35(30,31)28-21(29)13-32-19-7-3-6-18-23(19)20(12-27-18)33-16-9-8-14-4-1-2-5-15(14)10-16/h1-12,27H,13H2,(H,28,29)
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n/an/a 0.300n/an/an/an/an/an/a



deCODE Chemistry, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254841
PNG
(2-(3-(3,4-dichlorophenylthio)-1H-indol-4-yloxy)-N-...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H12Cl4N2O4S3/c21-11-5-4-10(6-12(11)22)31-16-8-25-14-2-1-3-15(19(14)16)30-9-17(27)26-33(28,29)18-7-13(23)20(24)32-18/h1-8,25H,9H2,(H,26,27)
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deCODE Chemistry, Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor assessed as cAMP production by cell-based assay


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315498
PNG
(3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H19F3N2O4S/c29-22-14-24(31)25(15-23(22)30)38(36,37)32-26(34)11-10-19-6-3-7-21-13-27(35)33(28(19)21)16-17-8-9-18-4-1-2-5-20(18)12-17/h1-12,14-15H,13,16H2,(H,32,34)/b11-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315481
PNG
(CHEMBL1090222 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES FC1(F)C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H18Cl2F2N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315479
PNG
(3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoind...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F
Show InChI InChI=1S/C28H17F5N2O4S/c29-21-13-23(31)24(14-22(21)30)40(38,39)34-25(36)11-10-18-6-3-7-20-26(18)35(27(37)28(20,32)33)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14H,15H2,(H,34,36)/b11-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315503
PNG
(CHEMBL1092871 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c23)cc1F
Show InChI InChI=1S/C24H16Cl2F2N2O4S/c25-18-7-6-17(12-19(18)26)35(33,34)29-22(31)9-5-15-2-1-3-16-11-23(32)30(24(15)16)13-14-4-8-20(27)21(28)10-14/h1-10,12H,11,13H2,(H,29,31)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315528
PNG
(3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C29H21F3N2O4S/c1-17-22-8-4-7-20(11-12-27(35)33-39(37,38)26-15-24(31)23(30)14-25(26)32)28(22)34(29(17)36)16-18-9-10-19-5-2-3-6-21(19)13-18/h2-15,17H,16H2,1H3,(H,33,35)/b12-11+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315499
PNG
(CHEMBL1088822 | N-(3,4-difluorophenylsulfonyl)-3-(...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H20F2N2O4S/c29-24-12-11-23(16-25(24)30)37(35,36)31-26(33)13-10-20-6-3-7-22-15-27(34)32(28(20)22)17-18-8-9-19-4-1-2-5-21(19)14-18/h1-14,16H,15,17H2,(H,31,33)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315506
PNG
(CHEMBL1091146 | N-(4,5-dichlorothiophen-2-ylsulfon...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)c23)cc1F
Show InChI InChI=1S/C22H14Cl2F2N2O4S2/c23-15-10-20(33-22(15)24)34(31,32)27-18(29)7-5-13-2-1-3-14-9-19(30)28(21(13)14)11-12-4-6-16(25)17(26)8-12/h1-8,10H,9,11H2,(H,27,29)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315504
PNG
(CHEMBL1088848 | N-(3-chlorophenylsulfonyl)-3-(1-(3...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4cccc(Cl)c4)c23)cc1F
Show InChI InChI=1S/C24H17ClF2N2O4S/c25-18-5-2-6-19(13-18)34(32,33)28-22(30)10-8-16-3-1-4-17-12-23(31)29(24(16)17)14-15-7-9-20(26)21(27)11-15/h1-11,13H,12,14H2,(H,28,30)/b10-8+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315529
PNG
(CHEMBL1089454 | N-(3-chlorophenylsulfonyl)-3-(3-me...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClN2O4S/c1-19-26-11-4-8-22(14-15-27(33)31-37(35,36)25-10-5-9-24(30)17-25)28(26)32(29(19)34)18-20-12-13-21-6-2-3-7-23(21)16-20/h2-17,19H,18H2,1H3,(H,31,33)/b15-14+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315521
PNG
(3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-...)
Show SMILES CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H18Cl2F2N2O4S/c1-14-19-4-2-3-15(24(19)31(25(14)33)13-16-5-7-17(26)11-20(16)27)6-10-23(32)30-36(34,35)18-8-9-21(28)22(29)12-18/h2-12,14H,13H2,1H3,(H,30,32)/b10-6+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315500
PNG
(CHEMBL1088823 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H20Cl2N2O4S/c29-24-12-11-23(16-25(24)30)37(35,36)31-26(33)13-10-20-6-3-7-22-15-27(34)32(28(20)22)17-18-8-9-19-4-1-2-5-21(19)14-18/h1-14,16H,15,17H2,(H,31,33)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315492
PNG
(CHEMBL1092230 | N-(3-chlorophenylsulfonyl)-3-(1-(2...)
Show SMILES Clc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4cccc(Cl)c4)c23)c(Cl)c1
Show InChI InChI=1S/C24H17Cl3N2O4S/c25-18-5-2-6-20(12-18)34(32,33)28-22(30)10-8-15-3-1-4-16-11-23(31)29(24(15)16)14-17-7-9-19(26)13-21(17)27/h1-10,12-13H,11,14H2,(H,28,30)/b10-8+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254883
PNG
(CHEMBL479434 | N-(4,5-dichlorothiophen-2-ylsulfony...)
Show SMILES COc1ccc(Sc2c[nH]c3cccc(OCC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)c23)cc1
Show InChI InChI=1S/C21H16Cl2N2O5S3/c1-29-12-5-7-13(8-6-12)31-17-10-24-15-3-2-4-16(20(15)17)30-11-18(26)25-33(27,28)19-9-14(22)21(23)32-19/h2-10,24H,11H2,1H3,(H,25,26)
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deCODE Chemistry, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50121041
PNG
(CHEMBL326093 | [(S)-1-((R)-4,7-Dioxo-4-(S)-oxo-4la...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)


BindingDB Entry DOI: 10.7270/Q280520T
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315523
PNG
(CHEMBL1089161 | N-(3-chlorophenylsulfonyl)-3-(1-(2...)
Show SMILES CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H19Cl3N2O4S/c1-15-21-7-2-4-16(9-11-23(31)29-35(33,34)20-6-3-5-18(26)12-20)24(21)30(25(15)32)14-17-8-10-19(27)13-22(17)28/h2-13,15H,14H2,1H3,(H,29,31)/b11-9+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315524
PNG
(3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-...)
Show SMILES CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C25H17Cl2F3N2O4S/c1-13-17-4-2-3-14(24(17)32(25(13)34)12-15-5-7-16(26)9-18(15)27)6-8-23(33)31-37(35,36)22-11-20(29)19(28)10-21(22)30/h2-11,13H,12H2,1H3,(H,31,33)/b8-6+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315530
PNG
(CHEMBL1089455 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H22Cl2N2O4S/c1-18-24-8-4-7-21(11-14-27(34)32-38(36,37)23-12-13-25(30)26(31)16-23)28(24)33(29(18)35)17-19-9-10-20-5-2-3-6-22(20)15-19/h2-16,18H,17H2,1H3,(H,32,34)/b14-11+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315469
PNG
(3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindoli...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C28H19F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14,27,35H,15H2,(H,32,34)/b11-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315527
PNG
(CHEMBL1090459 | N-(3,4-difluorophenylsulfonyl)-3-(...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H22F2N2O4S/c1-18-24-8-4-7-21(11-14-27(34)32-38(36,37)23-12-13-25(30)26(31)16-23)28(24)33(29(18)35)17-19-9-10-20-5-2-3-6-22(20)15-19/h2-16,18H,17H2,1H3,(H,32,34)/b14-11+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315518
PNG
(3-(1-(naphthalen-2-ylmethyl)-2,3-dioxoindolin-7-yl...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2C(=O)C(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H17F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14H,15H2,(H,32,34)/b11-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315501
PNG
(CHEMBL1088846 | N-(3-chlorophenylsulfonyl)-3-(1-(n...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H21ClN2O4S/c29-24-9-4-10-25(17-24)36(34,35)30-26(32)14-13-21-7-3-8-23-16-27(33)31(28(21)23)18-19-11-12-20-5-1-2-6-22(20)15-19/h1-15,17H,16,18H2,(H,30,32)/b14-13+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315505
PNG
(3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)-N-(2,...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4cc(F)c(F)cc4F)c23)cc1F
Show InChI InChI=1S/C24H15F5N2O4S/c25-16-6-4-13(8-17(16)26)12-31-23(33)9-15-3-1-2-14(24(15)31)5-7-22(32)30-36(34,35)21-11-19(28)18(27)10-20(21)29/h1-8,10-11H,9,12H2,(H,30,32)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315494
PNG
(3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(3,...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C24H16Cl2F2N2O4S/c25-17-6-4-16(19(26)11-17)13-30-23(32)10-15-3-1-2-14(24(15)30)5-9-22(31)29-35(33,34)18-7-8-20(27)21(28)12-18/h1-9,11-12H,10,13H2,(H,29,31)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254520
PNG
(CHEMBL466184 | N-(3,4-difluorophenylsulfonyl)-2-(3...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C26H18F2N2O4S2/c27-20-11-10-19(13-21(20)28)36(32,33)30-25(31)15-34-23-7-3-6-22-26(23)24(14-29-22)35-18-9-8-16-4-1-2-5-17(16)12-18/h1-14,29H,15H2,(H,30,31)
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deCODE Chemistry, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254728
PNG
(CHEMBL465947 | N-(4-methoxyphenylsulfonyl)-2-(3-(n...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C27H22N2O5S2/c1-33-20-10-13-22(14-11-20)36(31,32)29-26(30)17-34-24-8-4-7-23-27(24)25(16-28-23)35-21-12-9-18-5-2-3-6-19(18)15-21/h2-16,28H,17H2,1H3,(H,29,30)
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deCODE Chemistry, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Cathepsin L


(Rattus norvegicus)
BDBM50121039
PNG
(CHEMBL114410 | [(S)-2-Cyclohexyl-1-((5S,6R)-4,4,7-...)
Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H29N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17-18,21H,1,3-4,7-8,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease


Bioorg Med Chem Lett 12: 3417-9 (2002)


BindingDB Entry DOI: 10.7270/Q280520T
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121039
PNG
(CHEMBL114410 | [(S)-2-Cyclohexyl-1-((5S,6R)-4,4,7-...)
Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H29N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17-18,21H,1,3-4,7-8,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC


Bioorg Med Chem Lett 12: 3417-9 (2002)


BindingDB Entry DOI: 10.7270/Q280520T
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315531
PNG
(CHEMBL1093124 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES CC1C(=O)N(Cc2ccc(F)c(F)c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H18Cl2F2N2O4S/c1-14-18-4-2-3-16(24(18)31(25(14)33)13-15-5-9-21(28)22(29)11-15)6-10-23(32)30-36(34,35)17-7-8-19(26)20(27)12-17/h2-12,14H,13H2,1H3,(H,30,32)/b10-6+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315502
PNG
(3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)-N-(3,...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4ccc(F)c(F)c4)c23)cc1F
Show InChI InChI=1S/C24H16F4N2O4S/c25-18-7-4-14(10-20(18)27)13-30-23(32)11-16-3-1-2-15(24(16)30)5-9-22(31)29-35(33,34)17-6-8-19(26)21(28)12-17/h1-10,12H,11,13H2,(H,29,31)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315467
PNG
(CHEMBL1093791 | N-(4-fluorophenylsulfonyl)-3-(3-hy...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN2O5S/c29-22-11-13-23(14-12-22)37(35,36)30-25(32)15-10-20-6-3-7-24-26(20)31(28(34)27(24)33)17-18-8-9-19-4-1-2-5-21(19)16-18/h1-16,27,33H,17H2,(H,30,32)/b15-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315522
PNG
(3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-...)
Show SMILES CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H18Cl4N2O4S/c1-14-19-4-2-3-15(24(19)31(25(14)33)13-16-5-7-17(26)11-21(16)28)6-10-23(32)30-36(34,35)18-8-9-20(27)22(29)12-18/h2-12,14H,13H2,1H3,(H,30,32)/b10-6+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
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