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Compile Data Set for Download or QSAR

Found 595 hits with Last Name = 'grillo' and Initial = 'm'   
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
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267898
PNG
((4Z)-4-{[(3-Hydroxy-4-methoxybenzyl)amino]methylen...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1O |w:8.7|
Show InChI InChI=1S/C22H18N2O4S/c1-28-20-5-2-13(8-19(20)25)10-23-11-18-17-9-14(15-6-7-29-12-15)3-4-16(17)21(26)24-22(18)27/h2-9,11-12,23,25H,10H2,1H3,(H,24,26,27)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267899
PNG
((4Z)-6-(3-Furyl)-4-{[(3-hydroxy-4-methoxybenzyl)am...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1O |w:8.7|
Show InChI InChI=1S/C22H18N2O5/c1-28-20-5-2-13(8-19(20)25)10-23-11-18-17-9-14(15-6-7-29-12-15)3-4-16(17)21(26)24-22(18)27/h2-9,11-12,23,25H,10H2,1H3,(H,24,26,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
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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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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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
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50019064
PNG
(CHEMBL3288340)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nccs1
Show InChI InChI=1S/C16H15F3N2OS/c17-16(18,19)13-4-2-1-3-12(13)11-5-8-21(9-6-11)15(22)14-20-7-10-23-14/h1-4,7,10-11H,5-6,8-9H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant RBP4-transthyretin interaction by FRET analysis


Bioorg Med Chem Lett 24: 2885-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.089
BindingDB Entry DOI: 10.7270/Q2154JMV
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
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
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267867
PNG
((4Z)-4-{[(3-hydroxy-4-methoxybenzyl)amino]methylen...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1O |w:8.7|
Show InChI InChI=1S/C22H19N3O4/c1-29-20-7-4-14(10-19(20)26)12-23-13-18-17-11-15(25-8-2-3-9-25)5-6-16(17)21(27)24-22(18)28/h2-11,13,23,26H,12H2,1H3,(H,24,27,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
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))
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
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))
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
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267540
PNG
(6-Cyclopentyl-4-{[(5-furan-3-yl-4-hydroxy-pyridin-...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)ncc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C25H23N3O4/c29-23-10-18(27-13-21(23)17-7-8-32-14-17)11-26-12-22-20-9-16(15-3-1-2-4-15)5-6-19(20)24(30)28-25(22)31/h5-10,12-15,26H,1-4,11H2,(H,27,29)(H,28,30,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267482
PNG
(6-Cyclopentyl-4-{[(4-hydroxy-5-propoxy-pyridin-2-y...)
Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)cc1O |w:10.9|
Show InChI InChI=1S/C24H27N3O4/c1-2-9-31-22-14-26-17(11-21(22)28)12-25-13-20-19-10-16(15-5-3-4-6-15)7-8-18(19)23(29)27-24(20)30/h7-8,10-11,13-15,25H,2-6,9,12H2,1H3,(H,26,28)(H,27,29,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
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))
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))
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))
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))
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
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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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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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
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50003643
PNG
(CHEMBL484477)
Show SMILES COc1cc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc(O)c1OC
Show InChI InChI=1S/C19H17BrN2O5/c1-26-16-6-10(5-15(23)17(16)27-2)8-21-9-14-13-7-11(20)3-4-12(13)18(24)22-19(14)25/h3-7,9,21,23H,8H2,1-2H3,(H,22,24,25)/b14-9-
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
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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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
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267399
PNG
(4-[(3-Hydroxy-4-pyridin-4-yl-benzylamino)-methylen...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccncc1 |w:6.5|
Show InChI InChI=1S/C22H16IN3O3/c23-15-2-4-17-18(10-15)19(22(29)26-21(17)28)12-25-11-13-1-3-16(20(27)9-13)14-5-7-24-8-6-14/h1-10,12,25,27H,11H2,(H,26,28,29)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
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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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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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))
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 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))
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 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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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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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))
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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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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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
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267398
PNG
(4-[(3-Hydroxy-4-pyridin-3-yl-benzylamino)-methylen...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1cccnc1 |w:6.5|
Show InChI InChI=1S/C22H16IN3O3/c23-15-4-6-17-18(9-15)19(22(29)26-21(17)28)12-25-10-13-3-5-16(20(27)8-13)14-2-1-7-24-11-14/h1-9,11-12,25,27H,10H2,(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267479
PNG
(6-Iodo-4-{[(4-hydroxy-5-methoxy-pyridin-2-ylmethyl...)
Show SMILES COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
Show InChI InChI=1S/C17H14IN3O4/c1-25-15-8-20-10(5-14(15)22)6-19-7-13-12-4-9(18)2-3-11(12)16(23)21-17(13)24/h2-5,7-8,19H,6H2,1H3,(H,20,22)(H,21,23,24)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267865
PNG
((4Z)-6-Iodo-4-{[(3-hydroxy-4-methoxybenzyl)amino]m...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
Show InChI InChI=1S/C18H15IN2O4/c1-25-16-5-2-10(6-15(16)22)8-20-9-14-13-7-11(19)3-4-12(13)17(23)21-18(14)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267900
PNG
(4-[(3-Hydroxy-4-methoxy-benzylamino)-methylene]-6-...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccccc2)cc1O |w:8.7|
Show InChI InChI=1S/C24H20N2O4/c1-30-22-10-7-15(11-21(22)27)13-25-14-20-19-12-17(16-5-3-2-4-6-16)8-9-18(19)23(28)26-24(20)29/h2-12,14,25,27H,13H2,1H3,(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
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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n/an/a 12n/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))
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
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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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 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))
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 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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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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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
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