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Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'zembower' and Initial = 'de'   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005897
PNG
(CHEMBL40840 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OCCC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C28H32O9/c1-5-8-11-34-27(31)36-21-14-17(4)13-19-23(21)26(30)24-20(25(19)29)15-18(33-10-7-3)16-22(24)37-28(32)35-12-9-6-2/h13-16H,5-12H2,1-4H3
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150n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005903
PNG
(CHEMBL44123 | Carbonic acid 8-butoxycarbonyloxy-7-...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c2c1OC(=O)OCCCC
Show InChI InChI=1S/C30H36O8/c1-4-7-10-11-13-20-16-17-22-25(28(20)38-30(34)36-19-9-6-3)27(32)24-21(26(22)31)14-12-15-23(24)37-29(33)35-18-8-5-2/h12,14-17H,4-11,13,18-19H2,1-3H3
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430n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075316
PNG
(3,5,8-Trihydroxy-1H-quinolin-4-one | CHEMBL153724)
Show SMILES Oc1cnc2c(O)ccc(O)c2c1O
Show InChI InChI=1S/C9H7NO4/c11-4-1-2-5(12)8-7(4)9(14)6(13)3-10-8/h1-3,11-13H,(H,10,14)
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490n/an/an/an/an/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against reverse transcriptase of HIV-1


Bioorg Med Chem Lett 9: 543-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00046-3
BindingDB Entry DOI: 10.7270/Q2251HCG
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005900
PNG
(CHEMBL43983 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cccc2C(=O)c3cc(C)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C25H26O8/c1-4-6-11-30-24(28)32-18-10-8-9-16-20(18)23(27)21-17(22(16)26)13-15(3)14-19(21)33-25(29)31-12-7-5-2/h8-10,13-14H,4-7,11-12H2,1-3H3
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1.90E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005887
PNG
(CHEMBL440290 | Carbonic acid 8-butoxycarbonyloxy-6...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C26H28O9/c1-5-7-9-32-25(29)34-19-12-15(3)11-17-21(19)24(28)22-18(23(17)27)13-16(31-4)14-20(22)35-26(30)33-10-8-6-2/h11-14H,5-10H2,1-4H3
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2.80E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005889
PNG
(CHEMBL40878 | Carbonic acid 8-butoxycarbonyloxy-9,...)
Show SMILES CCCCOC(=O)Oc1cccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C24H24O8/c1-3-5-13-29-23(27)31-17-11-7-9-15-19(17)22(26)20-16(21(15)25)10-8-12-18(20)32-24(28)30-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3
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7.50E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
DOPA decarboxylase


(Mus musculus)
BDBM50046351
PNG
(2-Amino-2-fluoromethyl-3-(5-hydroxy-1H-indol-3-yl)...)
Show SMILES N[C@@](CF)(Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C12H13FN2O3/c13-6-12(14,11(17)18)4-7-5-15-10-2-1-8(16)3-9(7)10/h1-3,5,15-16H,4,6,14H2,(H,17,18)/t12-/m1/s1
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2.43E+4n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by ChEMBL


Assay Description
Dissociation constant (KI) of the compound was evaluated as inhibitor of murine liver aromatic L-amino acid decarboxylase (AADC)


J Med Chem 36: 305-13 (1993)


Article DOI: 10.1021/jm00055a001
BindingDB Entry DOI: 10.7270/Q2DV1J0Z
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303711
PNG
(3,4-Difluoro-N-{(E)-3-[5-fluoro-1-(3-methoxybenzyl...)
Show SMILES COc1cccc(Cn2cc(C)c3cc(F)cc(\C=C\C(=O)NS(=O)(=O)c4ccc(F)c(F)c4)c23)c1
Show InChI InChI=1S/C26H21F3N2O4S/c1-16-14-31(15-17-4-3-5-20(10-17)35-2)26-18(11-19(27)12-22(16)26)6-9-25(32)30-36(33,34)21-7-8-23(28)24(29)13-21/h3-14H,15H2,1-2H3,(H,30,32)/b9-6+
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n/an/a 1n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303675
PNG
(2-(1-(2,4-dichlorobenzyl)-1H-benzo[d]imidazol-7-yl...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H13Cl4N3O4S2/c21-12-5-4-11(13(22)6-12)8-27-10-25-15-2-1-3-16(19(15)27)31-9-17(28)26-33(29,30)18-7-14(23)20(24)32-18/h1-7,10H,8-9H2,(H,26,28)
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n/an/a 1.10n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 60 mins repeated washing by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303675
PNG
(2-(1-(2,4-dichlorobenzyl)-1H-benzo[d]imidazol-7-yl...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H13Cl4N3O4S2/c21-12-5-4-11(13(22)6-12)8-27-10-25-15-2-1-3-16(19(15)27)31-9-17(28)26-33(29,30)18-7-14(23)20(24)32-18/h1-7,10H,8-9H2,(H,26,28)
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n/an/a 1.10n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303663
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[(E)-3-(5-Flu...)
Show SMILES Cc1cn(Cc2cn3ccccc3n2)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C24H17Cl2FN4O3S2/c1-14-11-31(13-17-12-30-7-3-2-4-20(30)28-17)23-15(8-16(27)9-18(14)23)5-6-21(32)29-36(33,34)22-10-19(25)24(26)35-22/h2-12H,13H2,1H3,(H,29,32)/b6-5+
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n/an/a 1.30n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303695
PNG
(CHEMBL585581 | Thiophene-2-sulfonic Acid{(E)-3-[1-...)
Show SMILES Clc1ccc(Cn2ccc3cccc(\C=C\C(=O)NS(=O)(=O)c4cccs4)c23)c(Cl)c1
Show InChI InChI=1S/C22H16Cl2N2O3S2/c23-18-8-6-17(19(24)13-18)14-26-11-10-16-4-1-3-15(22(16)26)7-9-20(27)25-31(28,29)21-5-2-12-30-21/h1-13H,14H2,(H,25,27)/b9-7+
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n/an/a 2n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 60 mins repeated washing by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303695
PNG
(CHEMBL585581 | Thiophene-2-sulfonic Acid{(E)-3-[1-...)
Show SMILES Clc1ccc(Cn2ccc3cccc(\C=C\C(=O)NS(=O)(=O)c4cccs4)c23)c(Cl)c1
Show InChI InChI=1S/C22H16Cl2N2O3S2/c23-18-8-6-17(19(24)13-18)14-26-11-10-16-4-1-3-15(22(16)26)7-9-20(27)25-31(28,29)21-5-2-12-30-21/h1-13H,14H2,(H,25,27)/b9-7+
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n/an/a 2n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303660
PNG
(CHEMBL566005 | N-{(E)-3-[1-(2,4-Dichlorobenzyl)-5-...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(F)cc(F)c3)cc(F)cc12
Show InChI InChI=1S/C25H17Cl2F3N2O3S/c1-14-12-32(13-16-2-4-17(26)7-23(16)27)25-15(6-18(28)11-22(14)25)3-5-24(33)31-36(34,35)21-9-19(29)8-20(30)10-21/h2-12H,13H2,1H3,(H,31,33)/b5-3+
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n/an/a 2n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303677
PNG
(CHEMBL566016 | N-(4,5-dichlorothiophen-2-ylsulfony...)
Show SMILES Cc1cn(CCC(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)c2c(Oc3ccc4ccccc4c3)cc(F)cc12
Show InChI InChI=1S/C26H19Cl2FN2O4S2/c1-15-14-31(9-8-23(32)30-37(33,34)24-13-21(27)26(28)36-24)25-20(15)11-18(29)12-22(25)35-19-7-6-16-4-2-3-5-17(16)10-19/h2-7,10-14H,8-9H2,1H3,(H,30,32)
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n/an/a 2.20n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303709
PNG
(3,4-Difluoro-N-[(E)-3-(5-fluoro-1-imidazo[1,2-a]py...)
Show SMILES Cc1cn(Cc2cn3ccccc3n2)c2c(\C=C\C(=O)NS(=O)(=O)c3ccc(F)c(F)c3)cc(F)cc12
Show InChI InChI=1S/C26H19F3N4O3S/c1-16-13-33(15-19-14-32-9-3-2-4-24(32)30-19)26-17(10-18(27)11-21(16)26)5-8-25(34)31-37(35,36)20-6-7-22(28)23(29)12-20/h2-14H,15H2,1H3,(H,31,34)/b8-5+
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n/an/a 2.30n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303680
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[3-(3-Naphtha...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)CCc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C26H20Cl2N2O3S2/c27-21-14-24(34-26(21)28)35(32,33)30-23(31)11-10-18-6-3-7-22-25(18)20(15-29-22)13-16-8-9-17-4-1-2-5-19(17)12-16/h1-9,12,14-15,29H,10-11,13H2,(H,30,31)
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n/an/a 2.40n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303682
PNG
(4,5-Dichloro-thiophene-2-sulfonic acid{3-[5-fluoro...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)\C=C\c1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C26H18Cl2N2O3S2/c27-21-14-24(34-26(21)28)35(32,33)30-23(31)11-10-18-6-3-7-22-25(18)20(15-29-22)13-16-8-9-17-4-1-2-5-19(17)12-16/h1-12,14-15,29H,13H2,(H,30,31)/b11-10+
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n/an/a 2.5n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303679
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[3-(1-Methyl-...)
Show SMILES Cn1cc(Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cccc12
Show InChI InChI=1S/C27H22Cl2N2O3S2/c1-31-16-21(14-17-9-10-18-5-2-3-6-20(18)13-17)26-19(7-4-8-23(26)31)11-12-24(32)30-36(33,34)25-15-22(28)27(29)35-25/h2-10,13,15-16H,11-12,14H2,1H3,(H,30,32)
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n/an/a 2.5n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303681
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[(E)-3-(1-Met...)
Show SMILES Cn1cc(Cc2ccc3ccccc3c2)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cccc12
Show InChI InChI=1S/C27H20Cl2N2O3S2/c1-31-16-21(14-17-9-10-18-5-2-3-6-20(18)13-17)26-19(7-4-8-23(26)31)11-12-24(32)30-36(33,34)25-15-22(28)27(29)35-25/h2-13,15-16H,14H2,1H3,(H,30,32)/b12-11+
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n/an/a 2.70n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303676
PNG
(4,5-Dichloro-thiophene-2-sulfonic acid[3-(1-methyl...)
Show SMILES CN1C(=O)C(Cc2ccc3ccccc3c2)c2c1cccc2CCC(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1
Show InChI InChI=1S/C27H22Cl2N2O4S2/c1-31-22-8-4-7-18(11-12-23(32)30-37(34,35)24-15-21(28)26(29)36-24)25(22)20(27(31)33)14-16-9-10-17-5-2-3-6-19(17)13-16/h2-10,13,15,20H,11-12,14H2,1H3,(H,30,32)
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n/an/a 3n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254473
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[2-(3-Naphtha...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C25H18Cl2N2O4S2/c26-19-12-23(34-25(19)27)35(31,32)29-22(30)14-33-21-7-3-6-20-24(21)18(13-28-20)11-15-8-9-16-4-1-2-5-17(16)10-15/h1-10,12-13,28H,11,14H2,(H,29,30)
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n/an/a 3n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303667
PNG
(CHEMBL566221 | Thiophene-2-sulfonic Acid{(E)-3-[1-...)
Show SMILES CC1=CC(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2\C=C\C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C24H18Cl2FNO3S2/c1-14-9-17(10-15-4-6-18(25)12-21(15)26)24-16(11-19(27)13-20(14)24)5-7-22(29)28-33(30,31)23-3-2-8-32-23/h2-9,11-13,17H,10H2,1H3,(H,28,29)/b7-5+
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n/an/a 3n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254473
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[2-(3-Naphtha...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C25H18Cl2N2O4S2/c26-19-12-23(34-25(19)27)35(31,32)29-22(30)14-33-21-7-3-6-20-24(21)18(13-28-20)11-15-8-9-16-4-1-2-5-17(16)10-15/h1-10,12-13,28H,11,14H2,(H,29,30)
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n/an/a 3n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 60 mins repeated washing by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303707
PNG
(3,5-Difluoro-N-[(E)-3-(5-fluoro-1-imidazo[1,2-a]py...)
Show SMILES Cc1cn(Cc2cn3ccccc3n2)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(F)cc(F)c3)cc(F)cc12
Show InChI InChI=1S/C26H19F3N4O3S/c1-16-13-33(15-21-14-32-7-3-2-4-24(32)30-21)26-17(8-18(27)12-23(16)26)5-6-25(34)31-37(35,36)22-10-19(28)9-20(29)11-22/h2-14H,15H2,1H3,(H,31,34)/b6-5+
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n/an/a 3.60n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303665
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid{(E)-3-[1-(3-...)
Show SMILES Cc1cn(Cc2cccc(c2)C#N)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C24H16Cl2FN3O3S2/c1-14-12-30(13-16-4-2-3-15(7-16)11-28)23-17(8-18(27)9-19(14)23)5-6-21(31)29-35(32,33)22-10-20(25)24(26)34-22/h2-10,12H,13H2,1H3,(H,29,31)/b6-5+
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n/an/a 3.70n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50303675
PNG
(2-(1-(2,4-dichlorobenzyl)-1H-benzo[d]imidazol-7-yl...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H13Cl4N3O4S2/c21-12-5-4-11(13(22)6-12)8-27-10-25-15-2-1-3-16(19(15)27)31-9-17(28)26-33(29,30)18-7-14(23)20(24)32-18/h1-7,10H,8-9H2,(H,26,28)
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n/an/a 4n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50303656
PNG
((R)-2-[4-(4-Thiophen-3-yl-benzyl)phenoxymethyl]pyr...)
Show SMILES C(Oc1ccc(Cc2ccc(cc2)-c2ccsc2)cc1)[C@H]1CCCN1
Show InChI InChI=1S/C22H23NOS/c1-2-21(23-12-1)15-24-22-9-5-18(6-10-22)14-17-3-7-19(8-4-17)20-11-13-25-16-20/h3-11,13,16,21,23H,1-2,12,14-15H2/t21-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS


J Med Chem 53: 573-85 (2010)

Checked by Author
Article DOI: 10.1021/jm900838g
BindingDB Entry DOI: 10.7270/Q22F7NJD
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50254473
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[2-(3-Naphtha...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C25H18Cl2N2O4S2/c26-19-12-23(34-25(19)27)35(31,32)29-22(30)14-33-21-7-3-6-20-24(21)18(13-28-20)11-15-8-9-16-4-1-2-5-17(16)10-15/h1-10,12-13,28H,11,14H2,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303662
PNG
(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
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n/an/a 4.60n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303662
PNG
(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
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n/an/a 4.60n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 60 mins repeated washing by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303670
PNG
((2E)-3-[1-(2,4-dichlorobenzyl)-2-oxo-1,2-dihydrosp...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C21NCCS1
Show InChI InChI=1S/C24H17Cl4N3O4S3/c25-15-6-4-14(17(26)10-15)12-31-21-13(2-1-3-16(21)24(23(31)33)29-8-9-36-24)5-7-19(32)30-38(34,35)20-11-18(27)22(28)37-20/h1-7,10-11,29H,8-9,12H2,(H,30,32)/b7-5+
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n/an/a 4.90n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50303661
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[(E)-3-(5-Flu...)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C27H19Cl2FN2O3S2/c1-16-14-32(15-17-6-7-18-4-2-3-5-19(18)10-17)26-20(11-21(30)12-22(16)26)8-9-24(33)31-37(34,35)25-13-23(28)27(29)36-25/h2-14H,15H2,1H3,(H,31,33)/b9-8+
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n/an/a 5n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303693
PNG
(CHEMBL585099 | Thiophene-2-sulfonic Acid{(E)-3-[1-...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cccs3)cccc12
Show InChI InChI=1S/C23H18Cl2N2O3S2/c1-15-13-27(14-17-7-9-18(24)12-20(17)25)23-16(4-2-5-19(15)23)8-10-21(28)26-32(29,30)22-6-3-11-31-22/h2-13H,14H2,1H3,(H,26,28)/b10-8+
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n/an/a 5n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254473
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[2-(3-Naphtha...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C25H18Cl2N2O4S2/c26-19-12-23(34-25(19)27)35(31,32)29-22(30)14-33-21-7-3-6-20-24(21)18(13-28-20)11-15-8-9-16-4-1-2-5-17(16)10-15/h1-10,12-13,28H,11,14H2,(H,29,30)
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n/an/a 5n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting in presence of 10% human serum


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303712
PNG
(2,4,5-Trifluoro-N-{(E)-3-[5-fluoro-1-(3-methoxyben...)
Show SMILES COc1cccc(Cn2cc(C)c3cc(F)cc(\C=C\C(=O)NS(=O)(=O)c4cc(F)c(F)cc4F)c23)c1
Show InChI InChI=1S/C26H20F4N2O4S/c1-15-13-32(14-16-4-3-5-19(8-16)36-2)26-17(9-18(27)10-20(15)26)6-7-25(33)31-37(34,35)24-12-22(29)21(28)11-23(24)30/h3-13H,14H2,1-2H3,(H,31,33)/b7-6+
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n/an/a 5.70n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303662
PNG
(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
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n/an/a 6n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting in presence of 10% human serum


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303664
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid{(E)-3-[1-(4-...)
Show SMILES Cc1cn(Cc2ccc(cc2)C#N)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C24H16Cl2FN3O3S2/c1-14-12-30(13-16-4-2-15(11-28)3-5-16)23-17(8-18(27)9-19(14)23)6-7-21(31)29-35(32,33)22-10-20(25)24(26)34-22/h2-10,12H,13H2,1H3,(H,29,31)/b7-6+
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n/an/a 6.60n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303661
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[(E)-3-(5-Flu...)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C27H19Cl2FN2O3S2/c1-16-14-32(15-17-6-7-18-4-2-3-5-19(18)10-17)26-20(11-21(30)12-22(16)26)8-9-24(33)31-37(34,35)25-13-23(28)27(29)36-25/h2-14H,15H2,1H3,(H,31,33)/b9-8+
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n/an/a 7n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 60 mins repeated washing by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303661
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[(E)-3-(5-Flu...)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C27H19Cl2FN2O3S2/c1-16-14-32(15-17-6-7-18-4-2-3-5-19(18)10-17)26-20(11-21(30)12-22(16)26)8-9-24(33)31-37(34,35)25-13-23(28)27(29)36-25/h2-14H,15H2,1H3,(H,31,33)/b9-8+
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n/an/a 7n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303674
PNG
(4,5-Dichloro-thiophene-2-sulfonic acid{2-[3-(napht...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2occ(c12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H15Cl2NO7S3/c25-17-11-22(35-24(17)26)37(31,32)27-21(28)13-34-19-7-3-6-18-23(19)20(12-33-18)36(29,30)16-9-8-14-4-1-2-5-15(14)10-16/h1-12H,13H2,(H,27,28)
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n/an/a 8.90n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50303662
PNG
(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
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n/an/a 11n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303715
PNG
(CHEMBL565791 | N-{(E)-3-[1-(2,4-Dichlorobenzyl)-5-...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(F)c(F)cc3F)cc(F)cc12
Show InChI InChI=1S/C25H16Cl2F4N2O3S/c1-13-11-33(12-15-2-4-16(26)7-19(15)27)25-14(6-17(28)8-18(13)25)3-5-24(34)32-37(35,36)23-10-21(30)20(29)9-22(23)31/h2-11H,12H2,1H3,(H,32,34)/b5-3+
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n/an/a 13.8n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303690
PNG
(CHEMBL566015 | Thiophene-2-sulfonic Acid[(E)-3-(1-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1cccc2ccn(Cc3ccc4OCOc4c3)c12
Show InChI InChI=1S/C23H18N2O5S2/c26-21(24-32(27,28)22-5-2-12-31-22)9-7-17-3-1-4-18-10-11-25(23(17)18)14-16-6-8-19-20(13-16)30-15-29-19/h1-13H,14-15H2,(H,24,26)/b9-7+
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n/an/a 14n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303668
PNG
(CHEMBL566631 | Thiophene-2-sulfonic Acid[(E)-3-(5-...)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2c(\C=C\C(=O)NS(=O)(=O)c3cccs3)cc(F)cc12
Show InChI InChI=1S/C27H21FN2O3S2/c1-18-16-30(17-19-8-9-20-5-2-3-6-21(20)13-19)27-22(14-23(28)15-24(18)27)10-11-25(31)29-35(32,33)26-7-4-12-34-26/h2-16H,17H2,1H3,(H,29,31)/b11-10+
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n/an/a 14n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303696
PNG
(CHEMBL565597 | Thiophene-2-sulfonic Acid{(E)-3-[1-...)
Show SMILES Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2c(\C=C\C(=O)NS(=O)(=O)c3cccs3)cccc12
Show InChI InChI=1S/C23H18Cl2N2O3S2/c1-15-13-27(14-16-7-9-19(24)20(25)12-16)23-17(4-2-5-18(15)23)8-10-21(28)26-32(29,30)22-6-3-11-31-22/h2-13H,14H2,1H3,(H,26,28)/b10-8+
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n/an/a 14.2n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303710
PNG
(CHEMBL566643 | N-{(E)-3-[1-(3,5-Dimethylisoxazol-4...)
Show SMILES Cc1cn(Cc2c(C)noc2C)c2c(\C=C\C(=O)NS(=O)(=O)c3ccc(F)c(F)c3)cc(F)cc12
Show InChI InChI=1S/C24H20F3N3O4S/c1-13-11-30(12-20-14(2)28-34-15(20)3)24-16(8-17(25)9-19(13)24)4-7-23(31)29-35(32,33)18-5-6-21(26)22(27)10-18/h4-11H,12H2,1-3H3,(H,29,31)/b7-4+
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n/an/a 14.5n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303669
PNG
(CHEMBL567266 | Naphthalene-2-carboxylic acid{4-[(E...)
Show SMILES CN1C(=O)C(NC(=O)c2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1
Show InChI InChI=1S/C27H19Cl2N3O5S2/c1-32-20-8-4-7-16(11-12-21(33)31-39(36,37)22-14-19(28)25(29)38-22)23(20)24(27(32)35)30-26(34)18-10-9-15-5-2-3-6-17(15)13-18/h2-14,24H,1H3,(H,30,34)(H,31,33)/b12-11+
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n/an/a 14.6n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303678
PNG
(CHEMBL585100 | Thiophene-2-sulfonic acid [3-(5-flu...)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cccs3)cc(F)cc12
Show InChI InChI=1S/C27H23FN2O3S2/c1-18-16-30(17-19-8-9-20-5-2-3-6-21(20)13-19)27-22(14-23(28)15-24(18)27)10-11-25(31)29-35(32,33)26-7-4-12-34-26/h2-9,12-16H,10-11,17H2,1H3,(H,29,31)
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n/an/a 22n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50303657
PNG
(3-{(R)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...)
Show SMILES OC(=O)CCN1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H22ClNO4/c21-15-3-5-18(6-4-15)26-19-9-7-17(8-10-19)25-14-16-2-1-12-22(16)13-11-20(23)24/h3-10,16H,1-2,11-14H2,(H,23,24)/t16-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA


J Med Chem 53: 573-85 (2010)

Checked by Author
Article DOI: 10.1021/jm900838g
BindingDB Entry DOI: 10.7270/Q22F7NJD
More data for this
Ligand-Target Pair
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