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Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'wait' and Initial = 'j'   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363928
PNG
(CHEMBL1951575)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1
Show InChI InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363935
PNG
(CHEMBL1951562)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O6S/c1-3-4-11-29-26(33)18-6-9-23(36-22-8-5-17(12-16(22)2)13-25(31)32)21(14-18)30-37(34,35)24-10-7-19(27)15-20(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363923
PNG
(CHEMBL1951570)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C(F)(F)F)C(=O)NC1CCC1
Show InChI InChI=1S/C27H24ClF3N2O7S/c1-39-23-11-15(12-25(34)35)5-8-22(23)40-21-9-6-16(26(36)32-18-3-2-4-18)13-20(21)33-41(37,38)24-10-7-17(14-19(24)28)27(29,30)31/h5-11,13-14,18,33H,2-4,12H2,1H3,(H,32,36)(H,34,35)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363917
PNG
(CHEMBL1951566)
Show SMILES CCCCNC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2F)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H22Cl2F2N2O6S/c1-2-3-8-30-25(34)14-4-6-21(37-22-13-18(28)15(9-19(22)29)11-24(32)33)20(10-14)31-38(35,36)23-7-5-16(26)12-17(23)27/h4-7,9-10,12-13,31H,2-3,8,11H2,1H3,(H,30,34)(H,32,33)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363928
PNG
(CHEMBL1951575)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1
Show InChI InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363934
PNG
(CHEMBL1951561)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C27H26ClF3N2O7S/c1-3-4-11-32-26(36)17-6-9-21(40-22-8-5-16(13-25(34)35)12-23(22)39-2)20(14-17)33-41(37,38)24-10-7-18(15-19(24)28)27(29,30)31/h5-10,12,14-15,33H,3-4,11,13H2,1-2H3,(H,32,36)(H,34,35)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50360671
PNG
(CHEMBL1933766)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-23-11-5-17(15-25(30)31)14-24(23)35-2)21(16-18)29-37(33,34)20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(H,30,31)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50302832
PNG
(2-(4-(4-(cyclopropylcarbamoyl)-2-(2,4-dichlorophen...)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C25H22Cl2N2O7S/c1-35-22-10-14(11-24(30)31)2-7-21(22)36-20-8-3-15(25(32)28-17-5-6-17)12-19(20)29-37(33,34)23-9-4-16(26)13-18(23)27/h2-4,7-10,12-13,17,29H,5-6,11H2,1H3,(H,28,32)(H,30,31)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363926
PNG
(CHEMBL1951573)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20Cl2F4N2O7S/c27-17-8-14(10-24(35)36)19(29)12-22(17)40-21-6-4-13(25(37)33-15-2-1-3-15)9-20(21)34-42(38,39)23-7-5-16(11-18(23)28)41-26(30,31)32/h4-9,11-12,15,34H,1-3,10H2,(H,33,37)(H,35,36)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363929
PNG
(CHEMBL1951556)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-22(37-23-9-5-16(13-25(31)32)12-24(23)36-2)21(14-17)30-38(34,35)18-7-8-19(27)20(28)15-18/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363921
PNG
(CHEMBL1951568)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H21Cl3N2O6S/c26-16-6-9-23(19(28)13-16)37(34,35)30-20-12-15(25(33)29-17-2-1-3-17)5-8-22(20)36-21-7-4-14(10-18(21)27)11-24(31)32/h4-10,12-13,17,30H,1-3,11H2,(H,29,33)(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363922
PNG
(CHEMBL1951569)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H23Cl3N2O6S/c1-25(2,3)29-24(33)15-5-8-21(36-20-7-4-14(10-17(20)27)11-23(31)32)19(12-15)30-37(34,35)22-9-6-16(26)13-18(22)28/h4-10,12-13,30H,11H2,1-3H3,(H,29,33)(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363936
PNG
(CHEMBL1951563)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H23Cl3N2O6S/c1-2-3-10-29-25(33)16-5-8-22(36-21-7-4-15(11-18(21)27)12-24(31)32)20(13-16)30-37(34,35)23-9-6-17(26)14-19(23)28/h4-9,11,13-14,30H,2-3,10,12H2,1H3,(H,29,33)(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363935
PNG
(CHEMBL1951562)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O6S/c1-3-4-11-29-26(33)18-6-9-23(36-22-8-5-17(12-16(22)2)13-25(31)32)21(14-18)30-37(34,35)24-10-7-19(27)15-20(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363919
PNG
(CHEMBL1951402)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2N2O6S/c26-17-6-8-19(9-7-17)36(33,34)29-21-14-16(25(32)28-18-2-1-3-18)5-11-23(21)35-22-10-4-15(12-20(22)27)13-24(30)31/h4-12,14,18,29H,1-3,13H2,(H,28,32)(H,30,31)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363918
PNG
(CHEMBL1951567)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CC2)c(Cl)c1
Show InChI InChI=1S/C24H19Cl3N2O6S/c25-15-3-8-22(18(27)12-15)36(33,34)29-19-11-14(24(32)28-16-4-5-16)2-7-21(19)35-20-6-1-13(9-17(20)26)10-23(30)31/h1-3,6-9,11-12,16,29H,4-5,10H2,(H,28,32)(H,30,31)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363917
PNG
(CHEMBL1951566)
Show SMILES CCCCNC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2F)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H22Cl2F2N2O6S/c1-2-3-8-30-25(34)14-4-6-21(37-22-13-18(28)15(9-19(22)29)11-24(32)33)20(10-14)31-38(35,36)23-7-5-16(26)12-17(23)27/h4-7,9-10,12-13,31H,2-3,8,11H2,1H3,(H,30,34)(H,32,33)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363915
PNG
(CHEMBL1951564)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2F)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H23Cl2FN2O6S/c1-2-3-10-29-25(33)16-5-8-22(36-21-7-4-15(11-19(21)28)12-24(31)32)20(13-16)30-37(34,35)23-9-6-17(26)14-18(23)27/h4-9,11,13-14,30H,2-3,10,12H2,1H3,(H,29,33)(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363926
PNG
(CHEMBL1951573)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20Cl2F4N2O7S/c27-17-8-14(10-24(35)36)19(29)12-22(17)40-21-6-4-13(25(37)33-15-2-1-3-15)9-20(21)34-42(38,39)23-7-5-16(11-18(23)28)41-26(30,31)32/h4-9,11-12,15,34H,1-3,10H2,(H,33,37)(H,35,36)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363936
PNG
(CHEMBL1951563)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H23Cl3N2O6S/c1-2-3-10-29-25(33)16-5-8-22(36-21-7-4-15(11-18(21)27)12-24(31)32)20(13-16)30-37(34,35)23-9-6-17(26)14-19(23)28/h4-9,11,13-14,30H,2-3,10,12H2,1H3,(H,29,33)(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363930
PNG
(CHEMBL1951557)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-21(37-22-9-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-15-18(27)7-8-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363928
PNG
(CHEMBL1951575)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1
Show InChI InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363927
PNG
(CHEMBL1951574)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)c1
Show InChI InChI=1S/C26H22Cl2F4N2O7S/c1-25(2,3)33-24(37)13-4-6-20(40-21-12-18(29)14(8-16(21)27)10-23(35)36)19(9-13)34-42(38,39)22-7-5-15(11-17(22)28)41-26(30,31)32/h4-9,11-12,34H,10H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363920
PNG
(CHEMBL1951555)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H24Cl2N2O6S/c1-25(2,3)28-24(32)16-5-11-22(35-21-10-4-15(12-19(21)27)13-23(30)31)20(14-16)29-36(33,34)18-8-6-17(26)7-9-18/h4-12,14,29H,13H2,1-3H3,(H,28,32)(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50259240
PNG
((5-(1-Benzyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl...)
Show SMILES NCc1noc(n1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H15N5O/c18-10-15-19-17(23-21-15)16-13-8-4-5-9-14(13)22(20-16)11-12-6-2-1-3-7-12/h1-9H,10-11,18H2
PDB
MMDB

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n/an/a 9n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


J Med Chem 52: 2694-707 (2009)


Article DOI: 10.1021/jm801180p
BindingDB Entry DOI: 10.7270/Q2GT5N3B
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363924
PNG
(CHEMBL1951571)
Show SMILES OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20ClF5N2O6S/c27-17-11-15(26(30,31)32)5-7-23(17)41(38,39)34-20-9-13(25(37)33-16-2-1-3-16)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,16,34H,1-3,10H2,(H,33,37)(H,35,36)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363921
PNG
(CHEMBL1951568)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H21Cl3N2O6S/c26-16-6-9-23(19(28)13-16)37(34,35)30-20-12-15(25(33)29-17-2-1-3-17)5-8-22(20)36-21-7-4-14(10-18(21)27)11-24(31)32/h4-10,12-13,17,30H,1-3,11H2,(H,29,33)(H,31,32)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363926
PNG
(CHEMBL1951573)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20Cl2F4N2O7S/c27-17-8-14(10-24(35)36)19(29)12-22(17)40-21-6-4-13(25(37)33-15-2-1-3-15)9-20(21)34-42(38,39)23-7-5-16(11-18(23)28)41-26(30,31)32/h4-9,11-12,15,34H,1-3,10H2,(H,33,37)(H,35,36)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363922
PNG
(CHEMBL1951569)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H23Cl3N2O6S/c1-25(2,3)29-24(33)15-5-8-21(36-20-7-4-14(10-17(20)27)11-23(31)32)19(12-15)30-37(34,35)22-9-6-16(26)13-18(22)28/h4-10,12-13,30H,11H2,1-3H3,(H,29,33)(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363919
PNG
(CHEMBL1951402)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2N2O6S/c26-17-6-8-19(9-7-17)36(33,34)29-21-14-16(25(32)28-18-2-1-3-18)5-11-23(21)35-22-10-4-15(12-20(22)27)13-24(30)31/h4-12,14,18,29H,1-3,13H2,(H,28,32)(H,30,31)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363933
PNG
(CHEMBL1951560)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-21(37-22-10-8-16(14-24(31)32)13-23(22)36-2)20(15-17)30-38(34,35)25-18(27)6-5-7-19(25)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50360671
PNG
(CHEMBL1933766)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-23-11-5-17(15-25(30)31)14-24(23)35-2)21(16-18)29-37(33,34)20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(H,30,31)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363923
PNG
(CHEMBL1951570)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C(F)(F)F)C(=O)NC1CCC1
Show InChI InChI=1S/C27H24ClF3N2O7S/c1-39-23-11-15(12-25(34)35)5-8-22(23)40-21-9-6-16(26(36)32-18-3-2-4-18)13-20(21)33-41(37,38)24-10-7-17(14-19(24)28)27(29,30)31/h5-11,13-14,18,33H,2-4,12H2,1H3,(H,32,36)(H,34,35)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363924
PNG
(CHEMBL1951571)
Show SMILES OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20ClF5N2O6S/c27-17-11-15(26(30,31)32)5-7-23(17)41(38,39)34-20-9-13(25(37)33-16-2-1-3-16)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,16,34H,1-3,10H2,(H,33,37)(H,35,36)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363923
PNG
(CHEMBL1951570)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C(F)(F)F)C(=O)NC1CCC1
Show InChI InChI=1S/C27H24ClF3N2O7S/c1-39-23-11-15(12-25(34)35)5-8-22(23)40-21-9-6-16(26(36)32-18-3-2-4-18)13-20(21)33-41(37,38)24-10-7-17(14-19(24)28)27(29,30)31/h5-11,13-14,18,33H,2-4,12H2,1H3,(H,32,36)(H,34,35)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363927
PNG
(CHEMBL1951574)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)c1
Show InChI InChI=1S/C26H22Cl2F4N2O7S/c1-25(2,3)33-24(37)13-4-6-20(40-21-12-18(29)14(8-16(21)27)10-23(35)36)19(9-13)34-42(38,39)22-7-5-15(11-17(22)28)41-26(30,31)32/h4-9,11-12,34H,10H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363918
PNG
(CHEMBL1951567)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CC2)c(Cl)c1
Show InChI InChI=1S/C24H19Cl3N2O6S/c25-15-3-8-22(18(27)12-15)36(33,34)29-19-11-14(24(32)28-16-4-5-16)2-7-21(19)35-20-6-1-13(9-17(20)26)10-23(30)31/h1-3,6-9,11-12,16,29H,4-5,10H2,(H,28,32)(H,30,31)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363920
PNG
(CHEMBL1951555)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H24Cl2N2O6S/c1-25(2,3)28-24(32)16-5-11-22(35-21-10-4-15(12-19(21)27)13-23(30)31)20(14-16)29-36(33,34)18-8-6-17(26)7-9-18/h4-12,14,29H,13H2,1-3H3,(H,28,32)(H,30,31)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363922
PNG
(CHEMBL1951569)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H23Cl3N2O6S/c1-25(2,3)29-24(33)15-5-8-21(36-20-7-4-14(10-17(20)27)11-23(31)32)19(12-15)30-37(34,35)22-9-6-16(26)13-18(22)28/h4-10,12-13,30H,11H2,1-3H3,(H,29,33)(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363919
PNG
(CHEMBL1951402)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2N2O6S/c26-17-6-8-19(9-7-17)36(33,34)29-21-14-16(25(32)28-18-2-1-3-18)5-11-23(21)35-22-10-4-15(12-20(22)27)13-24(30)31/h4-12,14,18,29H,1-3,13H2,(H,28,32)(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363916
PNG
(CHEMBL1951565)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C#N)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H23Cl2N3O6S/c1-2-3-10-30-26(34)17-5-8-23(37-22-7-4-16(12-25(32)33)11-18(22)15-29)21(13-17)31-38(35,36)24-9-6-19(27)14-20(24)28/h4-9,11,13-14,31H,2-3,10,12H2,1H3,(H,30,34)(H,32,33)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363926
PNG
(CHEMBL1951573)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20Cl2F4N2O7S/c27-17-8-14(10-24(35)36)19(29)12-22(17)40-21-6-4-13(25(37)33-15-2-1-3-15)9-20(21)34-42(38,39)23-7-5-16(11-18(23)28)41-26(30,31)32/h4-9,11-12,15,34H,1-3,10H2,(H,33,37)(H,35,36)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363927
PNG
(CHEMBL1951574)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)c1
Show InChI InChI=1S/C26H22Cl2F4N2O7S/c1-25(2,3)33-24(37)13-4-6-20(40-21-12-18(29)14(8-16(21)27)10-23(35)36)19(9-13)34-42(38,39)22-7-5-15(11-17(22)28)41-26(30,31)32/h4-9,11-12,34H,10H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363921
PNG
(CHEMBL1951568)
Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CCC2)c(Cl)c1
Show InChI InChI=1S/C25H21Cl3N2O6S/c26-16-6-9-23(19(28)13-16)37(34,35)30-20-12-15(25(33)29-17-2-1-3-17)5-8-22(20)36-21-7-4-14(10-18(21)27)11-24(31)32/h4-10,12-13,17,30H,1-3,11H2,(H,29,33)(H,31,32)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363925
PNG
(CHEMBL1951572)
Show SMILES OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20ClF5N2O7S/c27-17-11-16(41-26(30,31)32)5-7-23(17)42(38,39)34-20-9-13(25(37)33-15-2-1-3-15)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,15,34H,1-3,10H2,(H,33,37)(H,35,36)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363929
PNG
(CHEMBL1951556)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-22(37-23-9-5-16(13-25(31)32)12-24(23)36-2)21(14-17)30-38(34,35)18-7-8-19(27)20(28)15-18/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363934
PNG
(CHEMBL1951561)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C27H26ClF3N2O7S/c1-3-4-11-32-26(36)17-6-9-21(40-22-8-5-16(13-25(34)35)12-23(22)39-2)20(14-17)33-41(37,38)24-10-7-18(15-19(24)28)27(29,30)31/h5-10,12,14-15,33H,3-4,11,13H2,1-2H3,(H,32,36)(H,34,35)
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
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