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Compile Data Set for Download or QSAR

Found 755 hits with Last Name = 'dufresne' and Initial = 'c'   
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
Squalene synthetase


(Rattus norvegicus)
BDBM50292333
PNG
(CHEMBL505374 | zaragozic acid C)
Show SMILES C[C@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25-,26+,30+,32+,33+,34+,38-,39+,40-/m0/s1
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0.0450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat squalene synthase


J Nat Prod 59: 52-54 (1996)


Article DOI: 10.1021/np960003i
BindingDB Entry DOI: 10.7270/Q2Q52PND
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM85177
PNG
(CAS_80558-61-8 | M&B-28767 | NSC_119139)
Show SMILES OC(COc1ccccc1)C=CC1CCC(=O)C1CCCCCCC(O)=O |w:11.12|
Show InChI InChI=1S/C22H30O5/c23-18(16-27-19-8-4-3-5-9-19)14-12-17-13-15-21(24)20(17)10-6-1-2-7-11-22(25)26/h3-5,8-9,12,14,17-18,20,23H,1-2,6-7,10-11,13,15-16H2,(H,25,26)
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0.140n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM85603
PNG
(CAS_5311503 | NSC_5311503 | ZK110841)
Show SMILES OC(C=CC1C(O)CC(Cl)C1CC=CCCCC(O)=O)C1CCCCC1 |w:2.1,12.12|
Show InChI InChI=1S/C21H33ClO4/c22-18-14-20(24)17(12-13-19(23)15-8-4-3-5-9-15)16(18)10-6-1-2-7-11-21(25)26/h1,6,12-13,15-20,23-24H,2-5,7-11,14H2,(H,25,26)
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0.300n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM85183
PNG
(CAS_60325-46-4 | NSC_43251 | SULPROSTONE)
Show SMILES CS(=O)(=O)NC(=O)CCCC=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O |w:10.9,15.14|
Show InChI InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)
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0.350n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277631
PNG
(2-(1-isopropyl-9-(2,4,5-trichlorophenylthio)-7,8-d...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3cc(Cl)c(Cl)cc3Cl)c12
Show InChI InChI=1S/C21H19Cl3N2O2S/c1-10(2)19-18-15(3-5-25-19)26-6-4-11(7-17(27)28)20(26)21(18)29-16-9-13(23)12(22)8-14(16)24/h3,5,8-11H,4,6-7H2,1-2H3,(H,27,28)
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0.390n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277629
PNG
(2-(9-(2,4-dichlorophenylthio)-1-isopropyl-7,8-dihy...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-15(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-16-4-3-13(22)10-14(16)23/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)
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0.390n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM85175
PNG
(BW245C | CAS_72814-32-5 | NSC_3080928)
Show SMILES OC(CCn1c(CCCCCCC(O)=O)c(O)[nH]c1=O)C1CCCCC1
Show InChI InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14,16,22,25H,1-13H2,(H,20,26)(H,23,24)
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0.400n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085910
PNG
((Z)-7-{(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenox...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067735
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277577
PNG
(2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-dihy...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)
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0.530n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287934
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-9-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h15-16,19-20,26H,2,7-14H2,1,3-6H3/t19-,20-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277632
PNG
((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277630
PNG
(2-(1-isopropyl-9-(4-(trifluoromethyl)phenylthio)-7...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H21F3N2O2S/c1-12(2)19-18-16(7-9-26-19)27-10-8-13(11-17(28)29)20(27)21(18)30-15-5-3-14(4-6-15)22(23,24)25/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,28,29)
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0.670n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277575
PNG
(2-(9-(4-chlorophenylthio)-1-isopropyl-7,8-dihydro-...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)19-18-16(7-9-23-19)24-10-8-13(11-17(25)26)20(24)21(18)27-15-5-3-14(22)4-6-15/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,25,26)
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0.710n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277573
PNG
(2-(1-(cyclopropylmethyl)-9-(3,4-dichlorophenylthio...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc21
Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-4-3-14(11-16(15)24)29-22-20-17(9-12-1-2-12)25-7-5-18(20)26-8-6-13(21(22)26)10-19(27)28/h3-5,7,11-13H,1-2,6,8-10H2,(H,27,28)
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0.740n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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0.790n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277540
PNG
(2-(1-cyclopropyl-9-(3,4-dichlorophenylthio)-7,8-di...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)C1CC1
Show InChI InChI=1S/C21H18Cl2N2O2S/c22-14-4-3-13(10-15(14)23)28-21-18-16(5-7-24-19(18)11-1-2-11)25-8-6-12(20(21)25)9-17(26)27/h3-5,7,10-12H,1-2,6,8-9H2,(H,26,27)
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0.800n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067735
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277443
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-isopropyl-6,7,8,...)
Show SMILES CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H23ClN2O2S/c1-13(2)17-9-10-24-22-19(17)21(28-16-7-5-15(23)6-8-16)20-14(12-18(26)27)4-3-11-25(20)22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,26,27)
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0.880n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277576
PNG
(2-(10-(3,4-dichlorophenylthio)-1-isopropyl-6,7,8,9...)
Show SMILES CC(C)c1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-12(2)20-19-17(7-8-25-20)26-9-3-4-13(10-18(27)28)21(26)22(19)29-14-5-6-15(23)16(24)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,28)
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0.880n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277538
PNG
(2-(9-(3,4-dichlorophenylthio)-1-ethyl-7,8-dihydro-...)
Show SMILES CCc1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O2S/c1-2-15-18-16(5-7-23-15)24-8-6-11(9-17(25)26)19(24)20(18)27-12-3-4-13(21)14(22)10-12/h3-5,7,10-11H,2,6,8-9H2,1H3,(H,25,26)
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0.910n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277479
PNG
(2-(9-(3,4-dichlorophenylthio)-1-phenyl-7,8-dihydro...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)-c1ccccc1
Show InChI InChI=1S/C24H18Cl2N2O2S/c25-17-7-6-16(13-18(17)26)31-24-21-19(28-11-9-15(23(24)28)12-20(29)30)8-10-27-22(21)14-4-2-1-3-5-14/h1-8,10,13,15H,9,11-12H2,(H,29,30)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277541
PNG
(2-(1-(cyclopropylmethyl)-10-(3,4-dichlorophenylthi...)
Show SMILES OC(=O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc21
Show InChI InChI=1S/C23H22Cl2N2O2S/c24-16-6-5-15(12-17(16)25)30-23-21-18(10-13-3-4-13)26-8-7-19(21)27-9-1-2-14(22(23)27)11-20(28)29/h5-8,12-14H,1-4,9-11H2,(H,28,29)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277537
PNG
(2-(10-(3,4-dichlorophenylthio)-1-ethyl-6,7,8,9-tet...)
Show SMILES CCc1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-2-16-19-17(7-8-24-16)25-9-3-4-12(10-18(26)27)20(25)21(19)28-13-5-6-14(22)15(23)11-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,27)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277574
PNG
(2-(10-(3,4-dichlorophenylthio)-1-propyl-6,7,8,9-te...)
Show SMILES CCCc1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-2-4-17-20-18(8-9-25-17)26-10-3-5-13(11-19(27)28)21(26)22(20)29-14-6-7-15(23)16(24)12-14/h6-9,12-13H,2-5,10-11H2,1H3,(H,27,28)
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1.10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277628
PNG
(2-(9-(2,6-dichlorophenylthio)-1-isopropyl-7,8-dihy...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3c(Cl)cccc3Cl)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)18-17-15(6-8-24-18)25-9-7-12(10-16(26)27)19(25)21(17)28-20-13(22)4-3-5-14(20)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,26,27)
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1.20n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277988
PNG
((+/-)-2-(5-(3,4-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-12-4-5-13(21)14(22)10-12)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277444
PNG
(2-(10-(3,4-dichlorophenylthio)-1-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)20-17-15(6-7-23-20)24-8-2-3-11(9-16(25)26)18(24)19(17)29-12-4-5-13(21)14(22)10-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277445
PNG
(2-(9-(3,4-dichlorophenylthio)-1-(methylsulfonyl)-7...)
Show SMILES CS(=O)(=O)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C19H16Cl2N2O4S2/c1-29(26,27)19-16-14(4-6-22-19)23-7-5-10(8-15(24)25)17(23)18(16)28-11-2-3-12(20)13(21)9-11/h2-4,6,9-10H,5,7-8H2,1H3,(H,24,25)
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1.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277939
PNG
((+/-)-2-(4-(methylsulfonyl)-5-(naphthalen-1-ylthio...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3cccc4ccccc34)c12
Show InChI InChI=1S/C24H22N2O4S2/c1-32(29,30)19-11-12-25-24-21(19)23(22-16(14-20(27)28)8-5-13-26(22)24)31-18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-12,16H,5,8,13-14H2,1H3,(H,27,28)
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1.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM82213
PNG
(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O |w:8.7,12.11,c:20|
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50278036
PNG
((+/-)-2-(5-(2,4-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM85603
PNG
(CAS_5311503 | NSC_5311503 | ZK110841)
Show SMILES OC(C=CC1C(O)CC(Cl)C1CC=CCCCC(O)=O)C1CCCCC1 |w:2.1,12.12|
Show InChI InChI=1S/C21H33ClO4/c22-18-14-20(24)17(12-13-19(23)15-8-4-3-5-9-15)16(18)10-6-1-2-7-11-21(25)26/h1,6,12-13,15-20,23-24H,2-5,7-11,14H2,(H,25,26)
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287934
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-9-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h15-16,19-20,26H,2,7-14H2,1,3-6H3/t19-,20-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277940
PNG
((+/-)-2-(5-(2,3-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3cccc(Cl)c3Cl)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)14-7-8-23-20-16(14)19(29-13-6-2-5-12(21)17(13)22)18-11(10-15(25)26)4-3-9-24(18)20/h2,5-8,11H,3-4,9-10H2,1H3,(H,25,26)
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1.90n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287935
PNG
(4-(1,1-Dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2,...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32O2/c1-6-7-8-9-10-23(4,5)19-14-20(24)22(21(25)15-19)18-12-16(2)11-17(3)13-18/h11-15,24-25H,6-10H2,1-5H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277446
PNG
(2-(9-(4-chlorophenylthio)-1-(methylsulfonyl)-7,8-d...)
Show SMILES CS(=O)(=O)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H17ClN2O4S2/c1-28(25,26)19-16-14(6-8-21-19)22-9-7-11(10-15(23)24)17(22)18(16)27-13-4-2-12(20)3-5-13/h2-6,8,11H,7,9-10H2,1H3,(H,23,24)
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2.10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287930
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-d...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C=O)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-16,19-20,27H,6-9,11-13H2,1-5H3/t19-,20-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50278040
PNG
((+/-)-2-(5-(3,4-dichlorophenylthio)-4-isopropyl-6,...)
Show SMILES CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-12(2)15-7-8-25-22-19(15)21(29-14-5-6-16(23)17(24)11-14)20-13(10-18(27)28)4-3-9-26(20)22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,28)
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2.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85173
PNG
(CAS_40666-16-8 | FLUPROSTENOL | NSC_5311100)
Show SMILES OC(COc1cccc(c1)C(F)(F)F)C=CC1C(O)CC(O)C1CC=CCCCC(O)=O |w:15.16,24.25|
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)
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2.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277539
PNG
(2-(1-cyclopropyl-10-(3,4-dichlorophenylthio)-6,7,8...)
Show SMILES OC(=O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)C1CC1
Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-6-5-14(11-16(15)24)29-22-19-17(7-8-25-20(19)12-3-4-12)26-9-1-2-13(21(22)26)10-18(27)28/h5-8,11-13H,1-4,9-10H2,(H,27,28)
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2.5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287930
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-d...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C=O)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-16,19-20,27H,6-9,11-13H2,1-5H3/t19-,20-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50240648
PNG
(LATANOPROST (FREE ACID) | PhXA 41 | Xalatan | isop...)
Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 |r|
Show InChI InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50020300
PNG
((S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17?,18-,19+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277989
PNG
((+/-)-2-(5-(4-bromophenylthio)-4-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Br)cc3)c12
Show InChI InChI=1S/C20H19BrN2O4S2/c1-29(26,27)15-8-9-22-20-17(15)19(28-14-6-4-13(21)5-7-14)18-12(11-16(24)25)3-2-10-23(18)20/h4-9,12H,2-3,10-11H2,1H3,(H,24,25)
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3.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277991
PNG
((+/-)-2-(5-(2-chloro-4-fluorophenylthio)-4-(methyl...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(F)cc3Cl)c12
Show InChI InChI=1S/C20H18ClFN2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(22)10-13(14)21)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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3.70n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
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