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PubMed code 7658429

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50033116
PNG
((1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17,THB:19:18:15:22.20.21,19:20:15:23.18.17|
Show InChI InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
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 21n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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 33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50033114
PNG
((5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
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 49n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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 56n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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 130n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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 260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D2 using [3H]spiperone as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50033114
PNG
((5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
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 710n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D2 using [3H]spiperone as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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 1.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-1 adrenergic receptor

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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 1.52E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D2 using [3H]spiperone as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50033116
PNG
((1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17,THB:19:18:15:22.20.21,19:20:15:23.18.17|
Show InChI InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
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 1.55E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D2 using [3H]spiperone as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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 2.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against serotonergic 5-HT1c receptor

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against serotonergic 5-HT1a receptor

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against serotonergic 5-HT2 receptor

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-2 adrenergic receptor

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1 adrenergic receptor

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50033115
PNG
((5aS,11bR)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m0/s1
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 3.05E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50033115
PNG
((5aS,11bR)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m0/s1
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 4.02E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D2 using [3H]spiperone as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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 4.67E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Dopamine receptor D2 using [3H]spiperone as radioligand transfected in HEK cells

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D1

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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n/an/an/an/a 14n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D1

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50033114
PNG
((5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
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n/an/an/an/a 3.90E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D2

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50033114
PNG
((5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
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n/an/an/an/a 9n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D1

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50033116
PNG
((1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17,THB:19:18:15:22.20.21,19:20:15:23.18.17|
Show InChI InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D1

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50033115
PNG
((5aS,11bR)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D2

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 170n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D2

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50033116
PNG
((1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17,THB:19:18:15:22.20.21,19:20:15:23.18.17|
Show InChI InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
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n/an/an/an/a>4.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D2

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50033115
PNG
((5aS,11bR)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m0/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D1

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D1

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D2

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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n/an/an/an/a 1.61E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D2

J Med Chem 38: 3445-7 (1995)


BindingDB Entry DOI: 10.7270/Q26M37G0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%