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Compile Data Set for Download or QSAR

Found 939 hits with Last Name = 'peng' and Initial = 'h'   
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0120n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312599
PNG
(CHEMBL1093735 | N-Cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)
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0.150n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312599
PNG
(CHEMBL1093735 | N-Cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)
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0.150n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312597
PNG
(CHEMBL1093377 | N-Cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=S)NC2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3S/c25-19-11-12-21(22(26)17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50355892
PNG
(CHEMBL1910035)
Show SMILES Cc1ccc(cc1)[C@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156616
PNG
((7RS,9aRS)-5-[7-(3-fluoro-phenoxymethyl)-octahydro...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc(F)c3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C23H25FN8O2/c24-16-3-1-4-18(11-16)34-14-15-6-7-17-13-31(9-8-30(17)12-15)22-27-21(25)32-23(28-22)26-20(29-32)19-5-2-10-33-19/h1-5,10-11,15,17H,6-9,12-14H2,(H2,25,26,27,28,29)/t15-,17-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
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0.230n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407)
Show SMILES O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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0.240n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156605
PNG
((7RS,9aRS)-2-furan-2-yl-5-(7-imidazol-1-ylmethyloc...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3ccnc3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C20H24N10O/c21-18-24-19(25-20-23-17(26-30(18)20)16-2-1-9-31-16)29-8-7-28-11-14(3-4-15(28)12-29)10-27-6-5-22-13-27/h1-2,5-6,9,13-15H,3-4,7-8,10-12H2,(H2,21,23,24,25,26)/t14-,15+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156595
PNG
((7RS,9aRS)-2-furan-2-yl-N5-(2-pyrimidin-2-yloctahy...)
Show SMILES Nc1nc(NC[C@@H]2CC[C@@H]3CN(CCN3C2)c2ncccn2)nc2nc(nn12)-c1ccco1 |r|
Show InChI InChI=1S/C21H25N11O/c22-18-27-19(28-21-26-17(29-32(18)21)16-3-1-10-33-16)25-11-14-4-5-15-13-31(9-8-30(15)12-14)20-23-6-2-7-24-20/h1-3,6-7,10,14-15H,4-5,8-9,11-13H2,(H3,22,25,26,27,28,29)/t14-,15+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156606
PNG
((7RS,9aRS)-2-furan-2-yl-5-[7-(pyridin-3-yloxymethy...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccnc3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C22H25N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)18-4-2-10-32-18)30-9-8-29-12-15(5-6-16(29)13-30)14-33-17-3-1-7-24-11-17/h1-4,7,10-11,15-16H,5-6,8-9,12-14H2,(H2,23,25,26,27,28)/t15-,16-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156646
PNG
(2-(furan-2-yl)-5-((7S,9aS)-7-((quinolin-6-yloxy)me...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc4ncccc4c3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C26H27N9O2/c27-24-30-25(31-26-29-23(32-35(24)26)22-4-2-12-36-22)34-11-10-33-14-17(5-6-19(33)15-34)16-37-20-7-8-21-18(13-20)3-1-9-28-21/h1-4,7-9,12-13,17,19H,5-6,10-11,14-16H2,(H2,27,29,30,31,32)/t17-,19-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
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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0.740n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156638
PNG
((7RS,9aRS)-5-[7-(2-fluoro-phenoxymethyl)-octahydro...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3F)CC[C@H]2C1 |r|
Show InChI InChI=1S/C23H25FN8O2/c24-17-4-1-2-5-18(17)34-14-15-7-8-16-13-31(10-9-30(16)12-15)22-27-21(25)32-23(28-22)26-20(29-32)19-6-3-11-33-19/h1-6,11,15-16H,7-10,12-14H2,(H2,25,26,27,28,29)/t15-,16-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312602
PNG
(CHEMBL1091814 | N-cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2ccc(Oc3ccccc3)cc2)c(Cl)c1
Show InChI InChI=1S/C30H33Cl2N3O2/c31-23-13-16-27(28(32)21-23)29(22-11-14-26(15-12-22)37-25-9-5-2-6-10-25)34-17-19-35(20-18-34)30(36)33-24-7-3-1-4-8-24/h2,5-6,9-16,21,24,29H,1,3-4,7-8,17-20H2,(H,33,36)
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1.10n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50355891
PNG
(CHEMBL1910034)
Show SMILES Cc1ccc(cc1)[C@@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312603
PNG
(CHEMBL1084429 | N-cyclohexyl-4-{(2,4-dichloropheny...)
Show SMILES FC(F)(F)c1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H28Cl2F3N3O/c26-19-10-11-21(22(27)16-19)23(17-6-8-18(9-7-17)25(28,29)30)32-12-14-33(15-13-32)24(34)31-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,31,34)
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1.20n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312596
PNG
(4-[(2,4-Dichlorophenyl)(phenyl)methyl]-N-piperidin...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NN2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C23H28Cl2N4O/c24-19-9-10-20(21(25)17-19)22(18-7-3-1-4-8-18)27-13-15-28(16-14-27)23(30)26-29-11-5-2-6-12-29/h1,3-4,7-10,17,22H,2,5-6,11-16H2,(H,26,30)
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1.20n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312582
PNG
(CHEMBL1088728 | N-Cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O/c25-19-11-12-21(22(26)17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)
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1.60n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312586
PNG
(4-[(4-bromo-2-fluorophenyl)(phenyl)methyl]-N-cyclo...)
Show SMILES Fc1cc(Br)ccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H29BrFN3O/c25-19-11-12-21(22(26)17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)
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1.80n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50047021
PNG
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)
Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
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2n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156650
PNG
(5-((7R,9aS)-7-((bis(pyridin-3-ylmethyl)amino)methy...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C29H33N11O/c30-27-34-28(35-29-33-26(36-40(27)29)25-6-3-13-41-25)39-12-11-38-19-23(7-8-24(38)20-39)18-37(16-21-4-1-9-31-14-21)17-22-5-2-10-32-15-22/h1-6,9-10,13-15,23-24H,7-8,11-12,16-20H2,(H2,30,33,34,35,36)/t23-,24+/m1/s1
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2n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156635
PNG
(5-((7S,9aS)-7-(aminomethyl)-hexahydro-1H-pyrido[1,...)
Show SMILES NC[C@@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r|
Show InChI InChI=1S/C17H23N9O/c18-8-11-3-4-12-10-25(6-5-24(12)9-11)16-21-15(19)26-17(22-16)20-14(23-26)13-2-1-7-27-13/h1-2,7,11-12H,3-6,8-10,18H2,(H2,19,20,21,22,23)/t11-,12-/m0/s1
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2n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156660
PNG
(5-((7R,9aS)-7-((2,4-difluorobenzylamino)methyl)-he...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3ccc(F)cc3F)CC[C@H]2C1 |r|
Show InChI InChI=1S/C24H27F2N9O/c25-17-5-4-16(19(26)10-17)12-28-11-15-3-6-18-14-34(8-7-33(18)13-15)23-30-22(27)35-24(31-23)29-21(32-35)20-2-1-9-36-20/h1-2,4-5,9-10,15,18,28H,3,6-8,11-14H2,(H2,27,29,30,31,32)/t15-,18+/m1/s1
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2n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312585
PNG
(CHEMBL1087250 | N-cyclohexyl-4-[(2,6-dichloropheny...)
Show SMILES Clc1cccc(Cl)c1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H29Cl2N3O/c25-20-12-7-13-21(26)22(20)23(18-8-3-1-4-9-18)28-14-16-29(17-15-28)24(30)27-19-10-5-2-6-11-19/h1,3-4,7-9,12-13,19,23H,2,5-6,10-11,14-17H2,(H,27,30)
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2.20n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312598
PNG
(4-[(3-chlorophenyl)(2,4-dichlorophenyl)methyl]-N-c...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2cccc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-6-4-5-17(15-18)23(21-10-9-19(26)16-22(21)27)29-11-13-30(14-12-29)24(31)28-20-7-2-1-3-8-20/h4-6,9-10,15-16,20,23H,1-3,7-8,11-14H2,(H,28,31)
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2.30n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312604
PNG
(CHEMBL1084695 | N-cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl2FN3O/c25-18-8-11-21(22(26)16-18)23(17-6-9-19(27)10-7-17)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
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2.5n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312601
PNG
(CHEMBL1091813 | N-cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES COc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H31Cl2N3O2/c1-32-21-10-7-18(8-11-21)24(22-12-9-19(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-20-5-3-2-4-6-20/h7-12,17,20,24H,2-6,13-16H2,1H3,(H,28,31)
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2.60n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156644
PNG
((7RS,9aRS)-5-{7-[(bispyridin-4-ylmethylamino)-meth...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccncc3)Cc3ccncc3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C29H33N11O/c30-27-34-28(35-29-33-26(36-40(27)29)25-2-1-15-41-25)39-14-13-38-19-23(3-4-24(38)20-39)18-37(16-21-5-9-31-10-6-21)17-22-7-11-32-12-8-22/h1-2,5-12,15,23-24H,3-4,13-14,16-20H2,(H2,30,33,34,35,36)/t23-,24+/m1/s1
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3n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312600
PNG
(4-[(2,4-Dichlorophenyl)(p-tolyl)methyl]-N-piperidi...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NN1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl2N4O/c1-18-5-7-19(8-6-18)23(21-10-9-20(25)17-22(21)26)28-13-15-29(16-14-28)24(31)27-30-11-3-2-4-12-30/h5-10,17,23H,2-4,11-16H2,1H3,(H,27,31)
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3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156662
PNG
((6RS,9aRS)-[2-(7-amino-2-furan-2-yl[1,2,4]triazolo...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
Show InChI InChI=1S/C17H22N8O2/c18-15-20-16(21-17-19-14(22-25(15)17)13-5-2-8-27-13)23-6-7-24-11(9-23)3-1-4-12(24)10-26/h2,5,8,11-12,26H,1,3-4,6-7,9-10H2,(H2,18,19,20,21,22)/t11-,12+/m0/s1
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3n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312588
PNG
(4-[(2-fluoro-4-chlorophenyl)(phenyl)methyl]-N-cycl...)
Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H29ClFN3O/c25-19-11-12-21(22(26)17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)
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3.10n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156604
PNG
(CHEMBL173672 | N*5*-[(R)-1-(2,6-Difluoro-benzyl)-p...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20F2N8O/c21-14-5-1-6-15(22)13(14)11-29-8-2-4-12(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-7-3-9-31-16/h1,3,5-7,9,12H,2,4,8,10-11H2,(H3,23,24,25,26,27,28)/t12-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156624
PNG
(5-((7S,9aS)-7-((bis(pyridin-3-ylmethyl)amino)methy...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C29H33N11O/c30-27-34-28(35-29-33-26(36-40(27)29)25-6-3-13-41-25)39-12-11-38-19-23(7-8-24(38)20-39)18-37(16-21-4-1-9-31-14-21)17-22-5-2-10-32-15-22/h1-6,9-10,13-15,23-24H,7-8,11-12,16-20H2,(H2,30,33,34,35,36)/t23-,24-/m0/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156652
PNG
((7RS,9aRS)-2-furan-2-yl-5-(7-[1,2,4]triazol-1-ylme...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3cncn3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C19H23N11O/c20-17-24-18(25-19-23-16(26-30(17)19)15-2-1-7-31-15)28-6-5-27-8-13(3-4-14(27)10-28)9-29-12-21-11-22-29/h1-2,7,11-14H,3-6,8-10H2,(H2,20,23,24,25,26)/t13-,14-/m0/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156640
PNG
((7RS,9aRS)-5-[7-(3-fluoro-phenoxymethyl)-octahydro...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc(F)cc3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C23H25FN8O2/c24-16-4-7-18(8-5-16)34-14-15-3-6-17-13-31(10-9-30(17)12-15)22-27-21(25)32-23(28-22)26-20(29-32)19-2-1-11-33-19/h1-2,4-5,7-8,11,15,17H,3,6,9-10,12-14H2,(H2,25,26,27,28,29)/t15-,17-/m0/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50370922
PNG
(CHEMBL1237041)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4n[nH]cc34)CC[C@@H]2C1 |r|
Show InChI InChI=1S/C22H24N12O2/c23-20-28-21(29-22-27-18(31-34(20)22)16-2-1-7-35-16)33-6-5-32-9-13(3-4-14(32)10-33)11-36-19-15-8-26-30-17(15)24-12-25-19/h1-2,7-8,12-14H,3-6,9-11H2,(H,24,25,26,30)(H2,23,27,28,29,31)/t13-,14+/m0/s1
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5n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312591
PNG
(1-(Cyclohexylcarbonyl)-4-[(2,4-dichlorophenyl)(phe...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O/c25-20-11-12-21(22(26)17-20)23(18-7-3-1-4-8-18)27-13-15-28(16-14-27)24(29)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,17,19,23H,2,5-6,9-10,13-16H2
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5.80n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312592
PNG
(1-(1-adamantylcarbonyl)-4-[(2,4-dichlorophenyl)(ph...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)c(Cl)c1 |TLB:12:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,12:14:17.16.21:19|
Show InChI InChI=1S/C28H32Cl2N2O/c29-23-6-7-24(25(30)15-23)26(22-4-2-1-3-5-22)31-8-10-32(11-9-31)27(33)28-16-19-12-20(17-28)14-21(13-19)18-28/h1-7,15,19-21,26H,8-14,16-18H2
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5.90n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312584
PNG
(CHEMBL1087874 | N-cyclohexyl-4-((2,5-dichloropheny...)
Show SMILES Clc1ccc(Cl)c(c1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H29Cl2N3O/c25-19-11-12-22(26)21(17-19)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)
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5.90n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156633
PNG
((7RS,9aRS)-2-furan-2-yl-5-[7-(isoquinolin-5-yloxym...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc4cnccc34)CC[C@H]2C1 |r|
Show InChI InChI=1S/C26H27N9O2/c27-24-30-25(31-26-29-23(32-35(24)26)22-5-2-12-36-22)34-11-10-33-14-17(6-7-19(33)15-34)16-37-21-4-1-3-18-13-28-9-8-20(18)21/h1-5,8-9,12-13,17,19H,6-7,10-11,14-16H2,(H2,27,29,30,31,32)/t17-,19-/m0/s1
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6n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156643
PNG
(2-(furan-2-yl)-5-((7R,9aS)-7-((quinolin-2-yloxy)me...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccc4ccccc4n3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C26H27N9O2/c27-24-30-25(31-26-29-23(32-35(24)26)21-6-3-13-36-21)34-12-11-33-14-17(7-9-19(33)15-34)16-37-22-10-8-18-4-1-2-5-20(18)28-22/h1-6,8,10,13,17,19H,7,9,11-12,14-16H2,(H2,27,29,30,31,32)/t17-,19+/m1/s1
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7n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312587
PNG
(4-[(2-chloro-4-fluorophenyl)(phenyl)methyl]-N-cycl...)
Show SMILES Fc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C24H29ClFN3O/c25-22-17-19(26)11-12-21(22)23(18-7-3-1-4-8-18)28-13-15-29(16-14-28)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,23H,2,5-6,9-10,13-16H2,(H,27,30)
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8.10n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156618
PNG
((7RS,9aRS)-2-furan-2-yl-5-[7-(pyrimidin-2-ylaminom...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNc3ncccn3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C21H25N11O/c22-18-27-20(28-21-26-17(29-32(18)21)16-3-1-10-33-16)31-9-8-30-12-14(4-5-15(30)13-31)11-25-19-23-6-2-7-24-19/h1-3,6-7,10,14-15H,4-5,8-9,11-13H2,(H,23,24,25)(H2,22,26,27,28,29)/t14-,15+/m1/s1
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9n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156667
PNG
(5-((7R,9aS)-7-((bis(pyridin-2-ylmethyl)amino)methy...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccccn3)Cc3ccccn3)CC[C@H]2C1 |r|
Show InChI InChI=1S/C29H33N11O/c30-27-34-28(35-29-33-26(36-40(27)29)25-8-5-15-41-25)39-14-13-38-17-21(9-10-24(38)20-39)16-37(18-22-6-1-3-11-31-22)19-23-7-2-4-12-32-23/h1-8,11-12,15,21,24H,9-10,13-14,16-20H2,(H2,30,33,34,35,36)/t21-,24+/m1/s1
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9n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156621
PNG
((+/-)-2-furan-2-yl-5-(octahydropyrido[1,2-a]pyrazi...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
Show InChI InChI=1S/C16H20N8O/c17-14-19-15(23-8-7-22-6-2-1-4-11(22)10-23)20-16-18-13(21-24(14)16)12-5-3-9-25-12/h3,5,9,11H,1-2,4,6-8,10H2,(H2,17,18,19,20,21)
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12n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM85207
PNG
(CAS_123990 | NSC_123990 | Suberyldicholine)
Show SMILES C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C18H38N2O4/c1-19(2,3)13-15-23-17(21)11-9-7-8-10-12-18(22)24-16-14-20(4,5)6/h7-16H2,1-6H3/q+2
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13n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50156599
PNG
((6RS,9aRS)-2-furan-2-yl-5-(6-phenoxymethyl-octahyd...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccccc3)CCC[C@H]2C1 |r|
Show InChI InChI=1S/C23H26N8O2/c24-21-26-22(27-23-25-20(28-31(21)23)19-10-5-13-32-19)29-11-12-30-16(14-29)6-4-7-17(30)15-33-18-8-2-1-3-9-18/h1-3,5,8-10,13,16-17H,4,6-7,11-12,14-15H2,(H2,24,25,26,27,28)/t16-,17+/m0/s1
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13n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151188
PNG
(5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...)
Show SMILES Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28)
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14n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair
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