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Compile Data Set for Download or QSAR

Found 212 hits with Last Name = 'toma' and Initial = 'l'   
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


(Mus musculus (Mouse))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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0.000350n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176980
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-homopiperidin-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-5-7-20-23(25(33)30-31-12-3-1-2-4-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
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0.00100n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176989
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C23H21Cl3N4O/c24-15-6-8-17-14(12-15)4-3-5-18-21(23(31)28-29-10-1-2-11-29)27-30(22(17)18)20-9-7-16(25)13-19(20)26/h6-9,12-13H,1-5,10-11H2,(H,28,31)
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0.00400n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176979
PNG
(8-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-16-8-10-19-17(14-16)6-5-7-20-23(25(32)29-30-12-3-2-4-13-30)28-31(24(19)20)22-11-9-18(26)15-21(22)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,32)
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0.00520n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176986
PNG
(8-bromo-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Br)ccc3-c12
Show InChI InChI=1S/C24H23BrCl2N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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0.00800n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176990
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-p-methoxylphen...)
Show SMILES COc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O2/c1-34-19-9-7-18(8-10-19)30-26(33)24-21-4-2-3-15-13-16(27)5-11-20(15)25(21)32(31-24)23-12-6-17(28)14-22(23)29/h5-14H,2-4H2,1H3,(H,30,33)
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0.0130n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50216315
PNG
((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1CC2CC1CN2 |TLB:4:7:10:12.13|
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
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0.0180n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]cytosine form alpha4beta2 nAChR in rat striatum


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275878
PNG
(3-(6-chloropyridin-3-yl)-3,6-diazabicyclo[3.1.1]he...)
Show SMILES Clc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
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0.0230n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275880
PNG
(3-(6-bromopyridin-3-yl)-3,6-diazabicyclo[3.1.1]hep...)
Show SMILES Brc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C10H12BrN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
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0.0390n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275879
PNG
(3-(pyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane | ...)
Show SMILES C1C2CN(CC1N2)c1cccnc1 |TLB:7:3:6:0|
Show InChI InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2
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0.0560n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176987
PNG
(8-methyl-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C24H24Cl2N4O/c1-15-7-9-18-16(13-15)5-4-6-19-22(24(31)28-29-11-2-3-12-29)27-30(23(18)19)21-10-8-17(25)14-20(21)26/h7-10,13-14H,2-6,11-12H2,1H3,(H,28,31)
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0.110n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275932
PNG
(3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]...)
Show SMILES Clc1ccc(nn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-4-6-3-7(5-14)11-6/h1-2,6-7,11H,3-5H2
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0.168n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.280n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.290n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176976
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32)
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0.300n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50176977
PNG
(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
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0.340n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275933
PNG
(3-(6-chloropyridin-3-yl)-6-methyl-3,6-diazabicyclo...)
Show SMILES CN1C2CC1CN(C2)c1ccc(Cl)nc1 |THB:8:6:1:3|
Show InChI InChI=1S/C11H14ClN3/c1-14-9-4-10(14)7-15(6-9)8-2-3-11(12)13-5-8/h2-3,5,9-10H,4,6-7H2,1H3
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0.430n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50176979
PNG
(8-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-16-8-10-19-17(14-16)6-5-7-20-23(25(32)29-30-12-3-2-4-13-30)28-31(24(19)20)22-11-9-18(26)15-21(22)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,32)
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0.460n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.580n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50176976
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32)
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0.650n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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0.930n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073025
PNG
(8-Chloro-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
Show InChI InChI=1S/C23H26ClN7O2/c1-28-23(32)21-16(22(24)27-28)15-31-18(21)7-8-20(26-31)25-9-10-29-11-13-30(14-12-29)17-5-3-4-6-19(17)33-2/h3-8,15H,9-14H2,1-2H3,(H,25,26)
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1.10n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275931
PNG
(3-(4-nitrophenyl)-3,6-diazabicyclo[3.1.1]heptane |...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CC2CC(C1)N2 |TLB:6:9:15:12|
Show InChI InChI=1S/C11H13N3O2/c15-14(16)11-3-1-10(2-4-11)13-6-8-5-9(7-13)12-8/h1-4,8-9,12H,5-7H2
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1.20n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275879
PNG
(3-(pyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane | ...)
Show SMILES C1C2CN(CC1N2)c1cccnc1 |TLB:7:3:6:0|
Show InChI InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2
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1.36n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50176985
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-phenyl-1,4,5,6...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)Nc2ccccc2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H18Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h1-3,6-7,9-14H,4-5,8H2,(H,29,32)
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1.45n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
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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1.80n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073028
PNG
(8-Chloro-6-methyl-2-[2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Show InChI InChI=1S/C22H24ClN7O/c1-27-22(31)20-17(21(23)26-27)15-30-18(20)7-8-19(25-30)24-9-10-28-11-13-29(14-12-28)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,24,25)
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1.93n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50176980
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-homopiperidin-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-5-7-20-23(25(33)30-31-12-3-1-2-4-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
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2n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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2.33n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176981
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-p-chlorophenyl...)
Show SMILES Clc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H17Cl4N3O/c26-15-4-8-18(9-5-15)30-25(33)23-20-3-1-2-14-12-16(27)6-10-19(14)24(20)32(31-23)22-11-7-17(28)13-21(22)29/h4-13H,1-3H2,(H,30,33)
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2.5n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50073025
PNG
(8-Chloro-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
Show InChI InChI=1S/C23H26ClN7O2/c1-28-23(32)21-16(22(24)27-28)15-31-18(21)7-8-20(26-31)25-9-10-29-11-13-30(14-12-29)17-5-3-4-6-19(17)33-2/h3-8,15H,9-14H2,1-2H3,(H,25,26)
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3.04n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275878
PNG
(3-(6-chloropyridin-3-yl)-3,6-diazabicyclo[3.1.1]he...)
Show SMILES Clc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
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4.10n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176985
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-phenyl-1,4,5,6...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)Nc2ccccc2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H18Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h1-3,6-7,9-14H,4-5,8H2,(H,29,32)
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4.35n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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4.75n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176991
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-p-methylphenyl...)
Show SMILES Cc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O/c1-15-5-9-19(10-6-15)30-26(33)24-21-4-2-3-16-13-17(27)7-11-20(16)25(21)32(31-24)23-12-8-18(28)14-22(23)29/h5-14H,2-4H2,1H3,(H,30,33)
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5.74n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073027
PNG
(8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
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5.93n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50073028
PNG
(8-Chloro-6-methyl-2-[2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Show InChI InChI=1S/C22H24ClN7O/c1-27-22(31)20-17(21(23)26-27)15-30-18(20)7-8-19(25-30)24-9-10-28-11-13-29(14-12-28)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,24,25)
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6.59n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176984
PNG
(7-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3c(Cl)cccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-15-10-11-21(20(27)14-15)31-23-17-7-5-9-19(26)16(17)6-4-8-18(23)22(28-31)24(32)29-30-12-2-1-3-13-30/h5,7,9-11,14H,1-4,6,8,12-13H2,(H,29,32)
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9.84n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50009591
PNG
(1-(2-Methyl-1-phenyl-cyclohexyl)-piperidine | CHEM...)
Show SMILES CC1CCCCC1(N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H27N/c1-16-10-6-7-13-18(16,17-11-4-2-5-12-17)19-14-8-3-9-15-19/h2,4-5,11-12,16H,3,6-10,13-15H2,1H3
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11n/an/an/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL




J Med Chem 34: 2615-23 (1991)


BindingDB Entry DOI: 10.7270/Q22806K3
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50073027
PNG
(8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
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11.9n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50073027
PNG
(8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
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13.6n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176983
PNG
(7-chloro-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C23H21Cl3N4O/c24-15-5-8-17-14(12-15)4-7-18-21(23(31)28-29-10-2-1-3-11-29)27-30(22(17)18)20-9-6-16(25)13-19(20)26/h5-6,8-9,12-13H,1-4,7,10-11H2,(H,28,31)
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14.8n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50073025
PNG
(8-Chloro-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
Show InChI InChI=1S/C23H26ClN7O2/c1-28-23(32)21-16(22(24)27-28)15-31-18(21)7-8-20(26-31)25-9-10-29-11-13-30(14-12-29)17-5-3-4-6-19(17)33-2/h3-8,15H,9-14H2,1-2H3,(H,25,26)
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15.2n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50073028
PNG
(8-Chloro-6-methyl-2-[2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Show InChI InChI=1S/C22H24ClN7O/c1-27-22(31)20-17(21(23)26-27)15-30-18(20)7-8-19(25-30)24-9-10-28-11-13-29(14-12-28)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,24,25)
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15.6n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073025
PNG
(8-Chloro-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
Show InChI InChI=1S/C23H26ClN7O2/c1-28-23(32)21-16(22(24)27-28)15-31-18(21)7-8-20(26-31)25-9-10-29-11-13-30(14-12-29)17-5-3-4-6-19(17)33-2/h3-8,15H,9-14H2,1-2H3,(H,25,26)
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16.3n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50176978
PNG
(1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4,5,6-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3ccccc3-c12
Show InChI InChI=1S/C24H24Cl2N4O/c25-17-11-12-21(20(26)15-17)30-23-18-9-3-2-7-16(18)8-6-10-19(23)22(27-30)24(31)28-29-13-4-1-5-14-29/h2-3,7,9,11-12,15H,1,4-6,8,10,13-14H2,(H,28,31)
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18.1n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275933
PNG
(3-(6-chloropyridin-3-yl)-6-methyl-3,6-diazabicyclo...)
Show SMILES CN1C2CC1CN(C2)c1ccc(Cl)nc1 |THB:8:6:1:3|
Show InChI InChI=1S/C11H14ClN3/c1-14-9-4-10(14)7-15(6-9)8-2-3-11(12)13-5-8/h2-3,5,9-10H,4,6-7H2,1H3
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20n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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21n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073028
PNG
(8-Chloro-6-methyl-2-[2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Show InChI InChI=1S/C22H24ClN7O/c1-27-22(31)20-17(21(23)26-27)15-30-18(20)7-8-19(25-30)24-9-10-28-11-13-29(14-12-28)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,24,25)
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21.2n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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22.1n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
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