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Compile Data Set for Download or QSAR

Found 371 hits with Last Name = 'britton' and Initial = 'dr'   
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


(RAT)
BDBM50007137
PNG
(1-Aminomethyl-3-(3-hydroxy-phenyl)-isochroman-5,6-...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1cccc(O)c1
Show InChI InChI=1S/C16H17NO4/c17-8-15-11-4-5-13(19)16(20)12(11)7-14(21-15)9-2-1-3-10(18)6-9/h1-6,14-15,18-20H,7-8,17H2/t14?,15-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
D(1) dopamine receptor


(Carassius auratus)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007129
PNG
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50408146
PNG
(CHEMBL2114444)
Show SMILES CCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-10-6-12-16(21-10)8-18-13-4-3-9-5-14(19)15(20)7-11(9)17(12)13/h5-7,13,17-20H,2-4,8H2,1H3/t13-,17+/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007129
PNG
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007134
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14?,15-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057833
PNG
((5aS,11bS)-2-Chloro-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4cc(Cl)sc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-13-4-8-6-17-10-2-1-7-3-11(18)12(19)5-9(7)14(10)15(8)20-13/h3-5,10,14,17-19H,1-2,6H2/t10-,14-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50008824
PNG
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1
Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007148
PNG
(1-Aminomethyl-3-cyclohexyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C16H23NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h6-7,10,14-15,18-19H,1-5,8-9,17H2/t14?,15-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50008832
PNG
(1-Aminomethyl-3-cyclohexyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C16H23NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h6-7,10,14-15,18-19H,1-5,8-9,17H2/t14-,15-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50408147
PNG
(CHEMBL2114440)
Show SMILES Cc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C16H17NO2S/c1-8-4-11-15(20-8)7-17-12-3-2-9-5-13(18)14(19)6-10(9)16(11)12/h4-6,12,16-19H,2-3,7H2,1H3/t12-,16+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50408143
PNG
(CHEMBL2115377)
Show SMILES CCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-10-6-12-16(21-10)8-18-13-4-3-9-5-14(19)15(20)7-11(9)17(12)13/h5-7,13,17-20H,2-4,8H2,1H3/t13-,17+/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50408145
PNG
(CHEMBL2114441)
Show SMILES CC(C)(C)c1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-19(2,3)17-8-12-16(23-17)9-20-13-5-4-10-6-14(21)15(22)7-11(10)18(12)13/h6-8,13,18,20-22H,4-5,9H2,1-3H3/t13-,18+/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057842
PNG
((5aS,11bS)-2-Ethyl-4,5,5a,6,7,11b-hexahydro-1-thia...)
Show SMILES CCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-11-5-10-8-18-13-4-3-9-6-14(19)15(20)7-12(9)16(13)17(10)21-11/h5-7,13,16,18-20H,2-4,8H2,1H3/t13-,16-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057848
PNG
((5aS,11bR)-2-Chloro-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4sc(Cl)cc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-14-5-9-13(20-14)6-17-10-2-1-7-3-11(18)12(19)4-8(7)15(9)10/h3-5,10,15,17-19H,1-2,6H2/t10-,15+/m0/s1
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057841
PNG
((5aS,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-12-6-11-9-19-14-5-4-10-7-15(20)16(21)8-13(10)17(14)18(11)22-12/h6-8,14,17,19-21H,2-5,9H2,1H3/t14-,17-/m0/s1
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007125
PNG
(3-Cyclohexyl-1-methylaminomethyl-isochroman-5,6-di...)
Show SMILES CNC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C17H25NO3/c1-18-10-16-12-7-8-14(19)17(20)13(12)9-15(21-16)11-5-3-2-4-6-11/h7-8,11,15-16,18-20H,2-6,9-10H2,1H3/t15?,16-/m0/s1
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007152
PNG
(1-Aminomethyl-3-(4-iodo-phenyl)-isochroman-5,6-dio...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccc(I)cc1
Show InChI InChI=1S/C16H16INO3/c17-10-3-1-9(2-4-10)14-7-12-11(15(8-18)21-14)5-6-13(19)16(12)20/h1-6,14-15,19-20H,7-8,18H2/t14?,15-/m0/s1
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50408141
PNG
(CHEMBL2115372)
Show SMILES Cc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C16H17NO2S/c1-8-4-11-15(20-8)7-17-12-3-2-9-5-13(18)14(19)6-10(9)16(11)12/h4-6,12,16-19H,2-3,7H2,1H3/t12-,16+/m0/s1
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057846
PNG
((5aS,11bS)-2-Methyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES Cc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C16H17NO2S/c1-8-4-10-7-17-12-3-2-9-5-13(18)14(19)6-11(9)15(12)16(10)20-8/h4-6,12,15,17-19H,2-3,7H2,1H3/t12-,15-/m0/s1
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057857
PNG
((5aS,11bR)-2-Isopropyl-4,5,5a,6,7,11b-hexahydro-3-...)
Show SMILES CC(C)c1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-9(2)16-7-12-17(22-16)8-19-13-4-3-10-5-14(20)15(21)6-11(10)18(12)13/h5-7,9,13,18-21H,3-4,8H2,1-2H3/t13-,18+/m0/s1
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
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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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


(RAT)
BDBM50057845
PNG
((5aS,11bS)-2-Butyl-4,5,5a,6,7,11b-hexahydro-1-thia...)
Show SMILES CCCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C19H23NO2S/c1-2-3-4-13-7-12-10-20-15-6-5-11-8-16(21)17(22)9-14(11)18(15)19(12)23-13/h7-9,15,18,20-22H,2-6,10H2,1H3/t15-,18-/m0/s1
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22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007149
PNG
(1-Aminomethyl-3-cyclopentylmethyl-isochroman-5,6-d...)
Show SMILES NC[C@@H]1OC(CC2CCCC2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C16H23NO3/c17-9-15-12-5-6-14(18)16(19)13(12)8-11(20-15)7-10-3-1-2-4-10/h5-6,10-11,15,18-19H,1-4,7-9,17H2/t11?,15-/m0/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1) dopamine receptor


(Carassius auratus)
BDBM50008824
PNG
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1
Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007147
PNG
(3-Adamantan-1-yl-1-aminomethyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17|
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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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007126
PNG
(1-Aminomethyl-3-tert-butyl-isochroman-5,6-diol | C...)
Show SMILES CC(C)(C)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C14H21NO3/c1-14(2,3)12-6-9-8(11(7-15)18-12)4-5-10(16)13(9)17/h4-5,11-12,16-17H,6-7,15H2,1-3H3/t11-,12?/m0/s1
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
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


(RAT)
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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35n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50007129
PNG
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
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40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor using [3H]rauwolscine as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057840
PNG
((5aR,11bS)-4,5,5a,6,7,11b-Hexahydro-2-thia-5-aza-c...)
Show SMILES Oc1cc2CC[C@H]3NCc4cscc4[C@@H]3c2cc1O
Show InChI InChI=1S/C15H15NO2S/c17-13-3-8-1-2-12-15(10(8)4-14(13)18)11-7-19-6-9(11)5-16-12/h3-4,6-7,12,15-18H,1-2,5H2/t12-,15+/m1/s1
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45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
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


(RAT)
BDBM50408144
PNG
(CHEMBL2115373)
Show SMILES CC(C)(C)c1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-19(2,3)17-8-12-16(23-17)9-20-13-5-4-10-6-14(21)15(22)7-11(10)18(12)13/h6-8,13,18,20-22H,4-5,9H2,1-3H3/t13-,18+/m0/s1
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50057858
PNG
((5aR,11bR)-3-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1csc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-9-22-18-13(11)8-19-14-5-4-10-6-15(20)16(21)7-12(10)17(14)18/h6-7,9,14,17,19-21H,2-5,8H2,1H3/t14-,17-/m1/s1
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007123
PNG
(1-Aminomethyl-3-(4-bromo-phenyl)-isochroman-5,6-di...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrNO3/c17-10-3-1-9(2-4-10)14-7-12-11(15(8-18)21-14)5-6-13(19)16(12)20/h1-6,14-15,19-20H,7-8,18H2/t14?,15-/m0/s1
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52n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057855
PNG
((5aS,11bR)-2-Isobutyl-4,5,5a,6,7,11b-hexahydro-3-t...)
Show SMILES CC(C)Cc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-10(2)5-12-7-14-18(23-12)9-20-15-4-3-11-6-16(21)17(22)8-13(11)19(14)15/h6-8,10,15,19-22H,3-5,9H2,1-2H3/t15-,19+/m0/s1
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52n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1) dopamine receptor


(Carassius auratus)
BDBM50008828
PNG
(1-Aminomethyl-3-phenyl-isochroman-5-ol; hydrochlor...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)cccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO2/c17-10-16-12-7-4-8-14(18)13(12)9-15(19-16)11-5-2-1-3-6-11/h1-8,15-16,18H,9-10,17H2/t15-,16-/m0/s1
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53n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50008825
PNG
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)
Show SMILES Cc1ccc2[C@H](CN)O[C@@H](Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1
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54n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1A receptor


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
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


(RAT)
BDBM50057858
PNG
((5aR,11bR)-3-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1csc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-9-22-18-13(11)8-19-14-5-4-10-6-15(20)16(21)7-12(10)17(14)18/h6-7,9,14,17,19-21H,2-5,8H2,1H3/t14-,17-/m1/s1
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58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50008825
PNG
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)
Show SMILES Cc1ccc2[C@H](CN)O[C@@H](Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1
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58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1C receptor


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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64n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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64n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057837
PNG
((5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-c...)
Show SMILES Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1
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70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057843
PNG
((5aS,11bR)-4,5,5a,6,7,11b-Hexahydro-3-thia-5-aza-c...)
Show SMILES Oc1cc2CC[C@@H]3NCc4sccc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-15(10(8)6-13(12)18)9-3-4-19-14(9)7-16-11/h3-6,11,15-18H,1-2,7H2/t11-,15-/m0/s1
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73n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50057852
PNG
((5aS,11bS)-2-tert-Butyl-4,5,5a,6,7,11b-hexahydro-1...)
Show SMILES CC(C)(C)c1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C19H23NO2S/c1-19(2,3)16-7-11-9-20-13-5-4-10-6-14(21)15(22)8-12(10)17(13)18(11)23-16/h6-8,13,17,20-22H,4-5,9H2,1-3H3/t13-,17-/m0/s1
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78n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50008825
PNG
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)
Show SMILES Cc1ccc2[C@H](CN)O[C@@H](Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1
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86n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
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