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Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'o''connor' and Initial = 'r'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176407
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176411
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-15-16(18(29)27(10-25-15)9-19(22,23)24)26-28(17)14-4-2-1-3-13(14)21/h1-8,10H,9H2
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176407
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176411
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-15-16(18(29)27(10-25-15)9-19(22,23)24)26-28(17)14-4-2-1-3-13(14)21/h1-8,10H,9H2
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0.300n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176403
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES FC(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H12Cl2F2N4O/c20-12-7-5-11(6-8-12)18-16-17(19(28)26(10-24-16)9-15(22)23)25-27(18)14-4-2-1-3-13(14)21/h1-8,10,15H,9H2
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0.600n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29061
PNG
(CHEMBL201602 | pyrazolopyrimidinone-based antagoni...)
Show SMILES Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176416
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-6-(2...)
Show SMILES CCc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C21H15Cl2F3N4O/c1-2-16-27-17-18(20(31)29(16)11-21(24,25)26)28-30(15-6-4-3-5-14(15)23)19(17)12-7-9-13(22)10-8-12/h3-10H,2,11H2,1H3
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1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176418
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-1-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2N(C(Nc2c1=O)c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H13Cl2F3N4O/c20-11-5-7-12(8-6-11)28-16(13-3-1-2-4-14(13)21)26-15-17(28)25-10-27(18(15)29)9-19(22,23)24/h1-8,10,16,26H,9H2
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1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176418
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-1-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2N(C(Nc2c1=O)c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H13Cl2F3N4O/c20-11-5-7-12(8-6-11)28-16(13-3-1-2-4-14(13)21)26-15-17(28)25-10-27(18(15)29)9-19(22,23)24/h1-8,10,16,26H,9H2
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1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29061
PNG
(CHEMBL201602 | pyrazolopyrimidinone-based antagoni...)
Show SMILES Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3
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1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176403
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES FC(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H12Cl2F2N4O/c20-12-7-5-11(6-8-12)18-16-17(19(28)26(10-24-16)9-15(22)23)25-27(18)14-4-2-1-3-13(14)21/h1-8,10,15H,9H2
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1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176402
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1ccc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2
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1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176402
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1ccc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2
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1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176415
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(3,3,3-tri...)
Show SMILES FC(F)(F)CCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c21-13-7-5-12(6-8-13)18-16-17(27-29(18)15-4-2-1-3-14(15)22)19(30)28(11-26-16)10-9-20(23,24)25/h1-8,11H,9-10H2
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1.80n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176413
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-propyl-2H-...)
Show SMILES CCCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H16Cl2N4O/c1-2-11-25-12-23-17-18(20(25)27)24-26(16-6-4-3-5-15(16)22)19(17)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3
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2n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176413
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-propyl-2H-...)
Show SMILES CCCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H16Cl2N4O/c1-2-11-25-12-23-17-18(20(25)27)24-26(16-6-4-3-5-15(16)22)19(17)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3
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2n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176416
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-6-(2...)
Show SMILES CCc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C21H15Cl2F3N4O/c1-2-16-27-17-18(20(31)29(16)11-21(24,25)26)28-30(15-6-4-3-5-14(15)23)19(17)12-7-9-13(22)10-8-12/h3-10H,2,11H2,1H3
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3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176410
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-fluoroe...)
Show SMILES FCCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H13Cl2FN4O/c20-13-7-5-12(6-8-13)18-16-17(19(27)25(10-9-22)11-23-16)24-26(18)15-4-2-1-3-14(15)21/h1-8,11H,9-10H2
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3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176409
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-2H-p...)
Show SMILES CCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H14Cl2N4O/c1-2-24-11-22-16-17(19(24)26)23-25(15-6-4-3-5-14(15)21)18(16)12-7-9-13(20)10-8-12/h3-11H,2H2,1H3
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4n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176409
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-2H-p...)
Show SMILES CCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H14Cl2N4O/c1-2-24-11-22-16-17(19(24)26)23-25(15-6-4-3-5-14(15)21)18(16)12-7-9-13(20)10-8-12/h3-11H,2H2,1H3
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4n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176404
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1ncc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-13-9-25-27(10-19(22,23)24)18(29)16(13)26-28(17)15-4-2-1-3-14(15)21/h1-9H,10H2
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4n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176412
PNG
(6-benzyl-2-(2-chlorophenyl)-3-(4-chlorophenyl)-2H-...)
Show SMILES Clc1ccc(cc1)-c1n(nc2c1ncn(Cc1ccccc1)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c25-18-12-10-17(11-13-18)23-21-22(28-30(23)20-9-5-4-8-19(20)26)24(31)29(15-27-21)14-16-6-2-1-3-7-16/h1-13,15H,14H2
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4n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176415
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(3,3,3-tri...)
Show SMILES FC(F)(F)CCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c21-13-7-5-12(6-8-13)18-16-17(27-29(18)15-4-2-1-3-14(15)22)19(30)28(11-26-16)10-9-20(23,24)25/h1-8,11H,9-10H2
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4n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM107767
PNG
(US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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4.20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of radiolabeled 4-(azetidin-1-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1-(tritritiomethyl)pyrazolo[3,4-d]pyrimidine from PD...


J Med Chem 61: 1001-1018 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50465935
PNG
(CHEMBL4277264)
Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12
Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3
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4.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dopamine D5 receptor (unknown origin)


J Med Chem 61: 11384-11397 (2018)


BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176410
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-fluoroe...)
Show SMILES FCCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H13Cl2FN4O/c20-13-7-5-12(6-8-13)18-16-17(19(27)25(10-9-22)11-23-16)24-26(18)15-4-2-1-3-14(15)21/h1-8,11H,9-10H2
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5n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176412
PNG
(6-benzyl-2-(2-chlorophenyl)-3-(4-chlorophenyl)-2H-...)
Show SMILES Clc1ccc(cc1)-c1n(nc2c1ncn(Cc1ccccc1)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c25-18-12-10-17(11-13-18)23-21-22(28-30(23)20-9-5-4-8-19(20)26)24(31)29(15-27-21)14-16-6-2-1-3-7-16/h1-13,15H,14H2
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5n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163874
PNG
(CHEMBL3800048)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C22H21N5O3/c1-12-16-20(26-15(25-12)9-8-13-6-4-3-5-7-13)27(11-24-16)17-14-10-22(14,21(30)23-2)19(29)18(17)28/h3-7,11,14,17-19,28-29H,10H2,1-2H3,(H,23,30)/t14-,17-,18+,19+,22+/m1/s1
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176414
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-isopropyl-...)
Show SMILES CC(C)c1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2F3N4O/c1-12(2)20-28-17-18(21(32)30(20)11-22(25,26)27)29-31(16-6-4-3-5-15(16)24)19(17)13-7-9-14(23)10-8-13/h3-10,12H,11H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465945
PNG
(CHEMBL4279267)
Show SMILES Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C
Show InChI InChI=1S/C22H17N3O2/c1-14-3-6-20-23-10-11-25(20)21(14)17-5-4-16(13-15(17)2)27-22-18-8-12-26-19(18)7-9-24-22/h3-13H,1-2H3
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6.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting


J Med Chem 61: 11384-11397 (2018)


BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176404
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1ncc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-13-9-25-27(10-19(22,23)24)18(29)16(13)26-28(17)15-4-2-1-3-14(15)21/h1-9H,10H2
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8n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465944
PNG
(CHEMBL4286177)
Show SMILES Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1
Show InChI InChI=1S/C21H15N3O2/c1-14-2-7-19-22-11-12-24(19)20(14)15-3-5-16(6-4-15)26-21-17-9-13-25-18(17)8-10-23-21/h2-13H,1H3
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8.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting


J Med Chem 61: 11384-11397 (2018)


BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465935
PNG
(CHEMBL4277264)
Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12
Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3
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8.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting


J Med Chem 61: 11384-11397 (2018)


BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465935
PNG
(CHEMBL4277264)
Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12
Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting


J Med Chem 61: 11384-11397 (2018)


BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176406
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(piperidin...)
Show SMILES Clc1ccc(cc1)-c1n(nc2c1ncn(N1CCCCC1)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C22H19Cl2N5O/c23-16-10-8-15(9-11-16)21-19-20(26-29(21)18-7-3-2-6-17(18)24)22(30)28(14-25-19)27-12-4-1-5-13-27/h2-3,6-11,14H,1,4-5,12-13H2
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12n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176414
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-isopropyl-...)
Show SMILES CC(C)c1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2F3N4O/c1-12(2)20-28-17-18(21(32)30(20)11-22(25,26)27)29-31(16-6-4-3-5-15(16)24)19(17)13-7-9-14(23)10-8-13/h3-10,12H,11H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176417
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclohexyl...)
Show SMILES Clc1ccc(cc1)-c1n(nc2c1ncn(C1CCCCC1)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2N4O/c24-16-12-10-15(11-13-16)22-20-21(27-29(22)19-9-5-4-8-18(19)25)23(30)28(14-26-20)17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2
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20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176406
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(piperidin...)
Show SMILES Clc1ccc(cc1)-c1n(nc2c1ncn(N1CCCCC1)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C22H19Cl2N5O/c23-16-10-8-15(9-11-16)21-19-20(26-29(21)18-7-3-2-6-17(18)24)22(30)28(14-25-19)27-12-4-1-5-13-27/h2-3,6-11,14H,1,4-5,12-13H2
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20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176419
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-isopropyl-...)
Show SMILES CC(C)n1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H16Cl2N4O/c1-12(2)25-11-23-17-18(20(25)27)24-26(16-6-4-3-5-15(16)22)19(17)13-7-9-14(21)10-8-13/h3-12H,1-2H3
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21n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465935
PNG
(CHEMBL4277264)
Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12
Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting


J Med Chem 61: 11384-11397 (2018)


BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176408
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(pentan-3-...)
Show SMILES CCC(CC)n1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4O/c1-3-16(4-2)27-13-25-19-20(22(27)29)26-28(18-8-6-5-7-17(18)24)21(19)14-9-11-15(23)12-10-14/h5-13,16H,3-4H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176401
PNG
(3-(2-chlorophenyl)-2-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2c(-c3ccccc3Cl)n(nc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-11-5-7-12(8-6-11)28-17(13-3-1-2-4-14(13)21)15-16(26-28)18(29)27(10-25-15)9-19(22,23)24/h1-8,10H,9H2
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28n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176405
PNG
(3-(2-chlorophenyl)-2-(4-chlorophenyl)-6-cyclohexyl...)
Show SMILES Clc1ccc(cc1)-n1nc2c(ncn(C3CCCCC3)c2=O)c1-c1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2N4O/c24-15-10-12-17(13-11-15)29-22(18-8-4-5-9-19(18)25)20-21(27-29)23(30)28(14-26-20)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2
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38n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465946
PNG
(CHEMBL4294397)
Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
Show InChI InChI=1S/C21H15N3O2/c1-14-13-15(26-21-17-8-12-25-19(17)7-9-23-21)5-6-16(14)18-3-2-4-20-22-10-11-24(18)20/h2-13H,1H3
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38n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting


J Med Chem 61: 11384-11397 (2018)


BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163884
PNG
(CHEMBL3798200)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C20H18ClN5O3S/c1-9-14-18(25-13(24-9)6-4-10-3-5-12(21)30-10)26(8-23-14)15-11-7-20(11,19(29)22-2)17(28)16(15)27/h3,5,8,11,15-17,27-28H,7H2,1-2H3,(H,22,29)/t11-,15-,16+,17+,20+/m1/s1
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42n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465943
PNG
(CHEMBL4286110)
Show SMILES COc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1
Show InChI InChI=1S/C23H16N2O3/c1-26-21-7-4-16-14-24-11-8-18(16)22(21)15-2-5-17(6-3-15)28-23-19-10-13-27-20(19)9-12-25-23/h2-14H,1H3
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56n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting


J Med Chem 61: 11384-11397 (2018)


BindingDB Entry DOI: 10.7270/Q20G3NT6
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163878
PNG
(CHEMBL3799738)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2cnc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C19H16ClN5O3S/c1-21-18(28)19-6-10(19)14(15(26)16(19)27)25-8-23-11-7-22-13(24-17(11)25)5-3-9-2-4-12(20)29-9/h2,4,7-8,10,14-16,26-27H,6H2,1H3,(H,21,28)/t10-,14-,15+,16+,19+/m1/s1
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60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163871
PNG
(CHEMBL3800106)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(\C=C(/O)c3ccccc3)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C29H25N5O4/c1-30-28(38)29-15-19(29)24(25(36)26(29)37)34-16-31-23-20(14-21(35)18-10-6-3-7-11-18)32-22(33-27(23)34)13-12-17-8-4-2-5-9-17/h2-11,14,16,19,24-26,35-37H,15H2,1H3,(H,30,38)/b21-14-/t19-,24-,25+,26+,29+/m1/s1
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79n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation p...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
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