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PubMed code 1652023

Compile data set for download or QSAR
Found 179 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
DOPAMINE


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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
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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007127
PNG
(1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1
Show InChI InChI=1S/C18H27NO3/c19-11-17-13-8-9-15(20)18(21)14(13)10-16(22-17)12-6-4-2-1-3-5-7-12/h8-9,12,16-17,20-21H,1-7,10-11,19H2/t16?,17-/m0/s1
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89n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (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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122n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50453079
PNG
(CHEMBL2115213)
Show SMILES CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11+/m1/s1
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167n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007128
PNG
(1-Aminomethyl-3-phenethyl-isochroman-5,6-diol | CH...)
Show SMILES NC[C@@H]1OC(CCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO3/c19-11-17-14-8-9-16(20)18(21)15(14)10-13(22-17)7-6-12-4-2-1-3-5-12/h1-5,8-9,13,17,20-21H,6-7,10-11,19H2/t13?,17-/m0/s1
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248n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (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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271n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007139
PNG
(1-Aminomethyl-3-(3-methoxy-phenyl)-isochroman-5,6-...)
Show SMILES COc1cccc(c1)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C17H19NO4/c1-21-11-4-2-3-10(7-11)15-8-13-12(16(9-18)22-15)5-6-14(19)17(13)20/h2-7,15-16,19-20H,8-9,18H2,1H3/t15?,16-/m0/s1
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310n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007138
PNG
(3-Cyclohexyl-1-cyclopropylaminomethyl-isochroman-5...)
Show SMILES Oc1ccc2[C@H](CNC3CC3)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c21-16-9-8-14-15(19(16)22)10-17(12-4-2-1-3-5-12)23-18(14)11-20-13-6-7-13/h8-9,12-13,17-18,20-22H,1-7,10-11H2/t17?,18-/m0/s1
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329n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007127
PNG
(1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1
Show InChI InChI=1S/C18H27NO3/c19-11-17-13-8-9-15(20)18(21)14(13)10-16(22-17)12-6-4-2-1-3-5-7-12/h8-9,12,16-17,20-21H,1-7,10-11,19H2/t16?,17-/m0/s1
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342n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50007130
PNG
(1-Aminomethyl-3-phenoxymethyl-isochroman-5,6-diol ...)
Show SMILES NC[C@@H]1OC(COc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO4/c18-9-16-13-6-7-15(19)17(20)14(13)8-12(22-16)10-21-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/m0/s1
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374n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007153
PNG
(1-Aminomethyl-3-benzyloxymethyl-isochroman-5,6-dio...)
Show SMILES NC[C@@H]1OC(COCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO4/c19-9-17-14-6-7-16(20)18(21)15(14)8-13(23-17)11-22-10-12-4-2-1-3-5-12/h1-7,13,17,20-21H,8-11,19H2/t13?,17-/m0/s1
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386n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007151
PNG
(1-Aminomethyl-3-prop-2-ynyl-isochroman-5,6-diol | ...)
Show SMILES NC[C@@H]1OC(CC#C)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H15NO3/c1-2-3-8-6-10-9(12(7-14)17-8)4-5-11(15)13(10)16/h1,4-5,8,12,15-16H,3,6-7,14H2/t8?,12-/m0/s1
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407n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007150
PNG
(1-Aminomethyl-3-benzyl-isochroman-5,6-diol | CHEMB...)
Show SMILES NC[C@@H]1OC(Cc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO3/c18-10-16-13-6-7-15(19)17(20)14(13)9-12(21-16)8-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/m0/s1
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443n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (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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450n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007145
PNG
(1-Aminomethyl-isochroman-5,6-diol spirocyclohexane...)
Show SMILES NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C15H21NO3/c16-9-13-10-4-5-12(17)14(18)11(10)8-15(19-13)6-2-1-3-7-15/h4-5,13,17-18H,1-3,6-9,16H2/t13-/m0/s1
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479n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007141
PNG
(1-Aminomethyl-3-benzhydryl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23NO3/c24-14-21-17-11-12-19(25)23(26)18(17)13-20(27-21)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,20-22,25-26H,13-14,24H2/t20?,21-/m0/s1
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530n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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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590n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007138
PNG
(3-Cyclohexyl-1-cyclopropylaminomethyl-isochroman-5...)
Show SMILES Oc1ccc2[C@H](CNC3CC3)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c21-16-9-8-14-15(19(16)22)10-17(12-4-2-1-3-5-12)23-18(14)11-20-13-6-7-13/h8-9,12-13,17-18,20-22H,1-7,10-11H2/t17?,18-/m0/s1
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636n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007128
PNG
(1-Aminomethyl-3-phenethyl-isochroman-5,6-diol | CH...)
Show SMILES NC[C@@H]1OC(CCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO3/c19-11-17-14-8-9-16(20)18(21)15(14)10-13(22-17)7-6-12-4-2-1-3-5-12/h1-5,8-9,13,17,20-21H,6-7,10-11,19H2/t13?,17-/m0/s1
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670n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007146
PNG
(1-Aminomethyl-3-hexyl-isochroman-5,6-diol | CHEMBL...)
Show SMILES CCCCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C16H25NO3/c1-2-3-4-5-6-11-9-13-12(15(10-17)20-11)7-8-14(18)16(13)19/h7-8,11,15,18-19H,2-6,9-10,17H2,1H3/t11?,15-/m0/s1
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704n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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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724n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (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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736n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1C receptor using [125 I]-SCH23982 as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007139
PNG
(1-Aminomethyl-3-(3-methoxy-phenyl)-isochroman-5,6-...)
Show SMILES COc1cccc(c1)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C17H19NO4/c1-21-11-4-2-3-10(7-11)15-8-13-12(16(9-18)22-15)5-6-14(19)17(13)20/h2-7,15-16,19-20H,8-9,18H2,1H3/t15?,16-/m0/s1
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764n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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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776n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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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776n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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782n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(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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807n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007133
PNG
(1-Aminomethyl-3-butyl-isochroman-5,6-diol | CHEMBL...)
Show SMILES CCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C14H21NO3/c1-2-3-4-9-7-11-10(13(8-15)18-9)5-6-12(16)14(11)17/h5-6,9,13,16-17H,2-4,7-8,15H2,1H3/t9?,13-/m0/s1
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825n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007133
PNG
(1-Aminomethyl-3-butyl-isochroman-5,6-diol | CHEMBL...)
Show SMILES CCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C14H21NO3/c1-2-3-4-9-7-11-10(13(8-15)18-9)5-6-12(16)14(11)17/h5-6,9,13,16-17H,2-4,7-8,15H2,1H3/t9?,13-/m0/s1
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870n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (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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960n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007135
PNG
(1-Aminomethyl-isochroman-5,6-diol | CHEMBL87958)
Show SMILES NC[C@@H]1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2/t9-/m0/s1
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1.03E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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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1.06E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007151
PNG
(1-Aminomethyl-3-prop-2-ynyl-isochroman-5,6-diol | ...)
Show SMILES NC[C@@H]1OC(CC#C)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H15NO3/c1-2-3-8-6-10-9(12(7-14)17-8)4-5-11(15)13(10)16/h1,4-5,8,12,15-16H,3,6-7,14H2/t8?,12-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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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1.12E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,18-/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1C receptor using [125 I]-SCH23982 as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007130
PNG
(1-Aminomethyl-3-phenoxymethyl-isochroman-5,6-diol ...)
Show SMILES NC[C@@H]1OC(COc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO4/c18-9-16-13-6-7-15(19)17(20)14(13)8-12(22-16)10-21-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/m0/s1
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1.28E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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
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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1.29E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007150
PNG
(1-Aminomethyl-3-benzyl-isochroman-5,6-diol | CHEMB...)
Show SMILES NC[C@@H]1OC(Cc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO3/c18-10-16-13-6-7-15(19)17(20)14(13)9-12(21-16)8-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/m0/s1
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1.47E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,18-/m0/s1
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1.54E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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1.59E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1C receptor using [125 I]-SCH23982 as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50453080
PNG
(CHEMBL2114209)
Show SMILES CC[C@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11-/m0/s1
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1.76E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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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2.09E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,18-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007153
PNG
(1-Aminomethyl-3-benzyloxymethyl-isochroman-5,6-dio...)
Show SMILES NC[C@@H]1OC(COCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO4/c19-9-17-14-6-7-16(20)18(21)15(14)8-13(23-17)11-22-10-12-4-2-1-3-5-12/h1-7,13,17,20-21H,8-11,19H2/t13?,17-/m0/s1
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2.29E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007132
PNG
(1-(Benzylamino-methyl)-3-cyclohexyl-isochroman-5,6...)
Show SMILES Oc1ccc2[C@H](CNCc3ccccc3)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C23H29NO3/c25-20-12-11-18-19(23(20)26)13-21(17-9-5-2-6-10-17)27-22(18)15-24-14-16-7-3-1-4-8-16/h1,3-4,7-8,11-12,17,21-22,24-26H,2,5-6,9-10,13-15H2/t21?,22-/m0/s1
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2.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007142
PNG
(3-Cyclohexyl-1-[(methyl-prop-2-ynyl-amino)-methyl]...)
Show SMILES CN(CC#C)C[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C20H27NO3/c1-3-11-21(2)13-19-15-9-10-17(22)20(23)16(15)12-18(24-19)14-7-5-4-6-8-14/h1,9-10,14,18-19,22-23H,4-8,11-13H2,2H3/t18?,19-/m0/s1
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2.51E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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2.55E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007124
PNG
(1-[(Allyl-methyl-amino)-methyl]-3-cyclohexyl-isoch...)
Show SMILES CN(CC=C)C[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C20H29NO3/c1-3-11-21(2)13-19-15-9-10-17(22)20(23)16(15)12-18(24-19)14-7-5-4-6-8-14/h3,9-10,14,18-19,22-23H,1,4-8,11-13H2,2H3/t18?,19-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007141
PNG
(1-Aminomethyl-3-benzhydryl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23NO3/c24-14-21-17-11-12-19(25)23(26)18(17)13-20(27-21)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,20-22,25-26H,13-14,24H2/t20?,21-/m0/s1
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2.61E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007143
PNG
(1-Aminomethyl-3-(4-methoxy-benzyl)-isochroman-5,6-...)
Show SMILES COc1ccc(CC2Cc3c(O)c(O)ccc3[C@H](CN)O2)cc1
Show InChI InChI=1S/C18H21NO4/c1-22-12-4-2-11(3-5-12)8-13-9-15-14(17(10-19)23-13)6-7-16(20)18(15)21/h2-7,13,17,20-21H,8-10,19H2,1H3/t13?,17-/m0/s1
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2.65E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007143
PNG
(1-Aminomethyl-3-(4-methoxy-benzyl)-isochroman-5,6-...)
Show SMILES COc1ccc(CC2Cc3c(O)c(O)ccc3[C@H](CN)O2)cc1
Show InChI InChI=1S/C18H21NO4/c1-22-12-4-2-11(3-5-12)8-13-9-15-14(17(10-19)23-13)6-7-16(20)18(15)21/h2-7,13,17,20-21H,8-10,19H2,1H3/t13?,17-/m0/s1
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2.71E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007131
PNG
(3-Cyclohexyl-1-[(3-hydroxy-propylamino)-methyl]-is...)
Show SMILES OCCCNC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C19H29NO4/c21-10-4-9-20-12-18-14-7-8-16(22)19(23)15(14)11-17(24-18)13-5-2-1-3-6-13/h7-8,13,17-18,20-23H,1-6,9-12H2/t17?,18-/m0/s1
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3.14E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007124
PNG
(1-[(Allyl-methyl-amino)-methyl]-3-cyclohexyl-isoch...)
Show SMILES CN(CC=C)C[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C20H29NO3/c1-3-11-21(2)13-19-15-9-10-17(22)20(23)16(15)12-18(24-19)14-7-5-4-6-8-14/h3,9-10,14,18-19,22-23H,1,4-8,11-13H2,2H3/t18?,19-/m0/s1
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3.19E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50453079
PNG
(CHEMBL2115213)
Show SMILES CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11+/m1/s1
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3.53E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007135
PNG
(1-Aminomethyl-isochroman-5,6-diol | CHEMBL87958)
Show SMILES NC[C@@H]1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2/t9-/m0/s1
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4.61E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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4.61E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007145
PNG
(1-Aminomethyl-isochroman-5,6-diol spirocyclohexane...)
Show SMILES NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C15H21NO3/c16-9-13-10-4-5-12(17)14(18)11(10)8-15(19-13)6-2-1-3-7-15/h4-5,13,17-18H,1-3,6-9,16H2/t13-/m0/s1
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4.68E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007144
PNG
(3-Cyclohexyl-1-prop-2-ynylaminomethyl-isochroman-5...)
Show SMILES Oc1ccc2[C@H](CNCC#C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H25NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h1,8-9,13,17-18,20-22H,3-7,10-12H2/t17?,18-/m0/s1
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4.73E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-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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4.94E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007146
PNG
(1-Aminomethyl-3-hexyl-isochroman-5,6-diol | CHEMBL...)
Show SMILES CCCCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C16H25NO3/c1-2-3-4-5-6-11-9-13-12(15(10-17)20-11)7-8-14(18)16(13)19/h7-8,11,15,18-19H,2-6,9-10,17H2,1H3/t11?,15-/m0/s1
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5.54E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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6.06E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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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6.87E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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7.20E+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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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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8.19E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (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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9.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1C receptor using [125 I]-SCH23982 as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007142
PNG
(3-Cyclohexyl-1-[(methyl-prop-2-ynyl-amino)-methyl]...)
Show SMILES CN(CC#C)C[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C20H27NO3/c1-3-11-21(2)13-19-15-9-10-17(22)20(23)16(15)12-18(24-19)14-7-5-4-6-8-14/h1,9-10,14,18-19,22-23H,4-8,11-13H2,2H3/t18?,19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards beta-1 adrenergic receptor using [3H]-iodocyanopindolol as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards beta-1 adrenergic receptor using [3H]-iodocyanopindolol as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards beta-1 adrenergic receptor using [3H]-iodocyanopindolol as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards beta-1 adrenergic receptor using [3H]-iodocyanopindolol as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1C receptor using [125 I]-SCH23982 as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards beta-1 adrenergic receptor using [3H]-iodocyanopindolol as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50453080
PNG
(CHEMBL2114209)
Show SMILES CC[C@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007132
PNG
(1-(Benzylamino-methyl)-3-cyclohexyl-isochroman-5,6...)
Show SMILES Oc1ccc2[C@H](CNCc3ccccc3)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C23H29NO3/c25-20-12-11-18-19(23(20)26)13-21(17-9-5-2-6-10-17)27-22(18)15-24-14-16-7-3-1-4-8-16/h1,3-4,7-8,11-12,17,21-22,24-26H,2,5-6,9-10,13-15H2/t21?,22-/m0/s1
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>1.00E+4n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1C receptor using [125 I]-SCH23982 as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards beta-1 adrenergic receptor using [3H]-iodocyanopindolol as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (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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1.08E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007144
PNG
(3-Cyclohexyl-1-prop-2-ynylaminomethyl-isochroman-5...)
Show SMILES Oc1ccc2[C@H](CNCC#C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H25NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h1,8-9,13,17-18,20-22H,3-7,10-12H2/t17?,18-/m0/s1
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1.15E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007131
PNG
(3-Cyclohexyl-1-[(3-hydroxy-propylamino)-methyl]-is...)
Show SMILES OCCCNC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C19H29NO4/c21-10-4-9-20-12-18-14-7-8-16(22)19(23)15(14)11-17(24-18)13-5-2-1-3-6-13/h7-8,13,17-18,20-23H,1-6,9-12H2/t17?,18-/m0/s1
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1.23E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (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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1.81E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (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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>2.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,18-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (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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>2.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (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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>2.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated by using [3H]-8-OH-DPAT radioligand by using competitive binding assay on 5-hydroxytryptamine 1A recep...


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (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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>2.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,18-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2- receptor using [3H]ketanserin as radioligand in competitive binding assay


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,18-/m0/s1
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n/an/an/an/a 47n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/an/a 16n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007145
PNG
(1-Aminomethyl-isochroman-5,6-diol spirocyclohexane...)
Show SMILES NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C15H21NO3/c16-9-13-10-4-5-12(17)14(18)11(10)8-15(19-13)6-2-1-3-7-15/h4-5,13,17-18H,1-3,6-9,16H2/t13-/m0/s1
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n/an/an/an/a 6.68E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007151
PNG
(1-Aminomethyl-3-prop-2-ynyl-isochroman-5,6-diol | ...)
Show SMILES NC[C@@H]1OC(CC#C)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H15NO3/c1-2-3-8-6-10-9(12(7-14)17-8)4-5-11(15)13(10)16/h1,4-5,8,12,15-16H,3,6-7,14H2/t8?,12-/m0/s1
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n/an/an/an/a 286n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007141
PNG
(1-Aminomethyl-3-benzhydryl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23NO3/c24-14-21-17-11-12-19(25)23(26)18(17)13-20(27-21)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,20-22,25-26H,13-14,24H2/t20?,21-/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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007145
PNG
(1-Aminomethyl-isochroman-5,6-diol spirocyclohexane...)
Show SMILES NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C15H21NO3/c16-9-13-10-4-5-12(17)14(18)11(10)8-15(19-13)6-2-1-3-7-15/h4-5,13,17-18H,1-3,6-9,16H2/t13-/m0/s1
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n/an/an/an/a 69n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/an/a 2.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/an/a 1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007151
PNG
(1-Aminomethyl-3-prop-2-ynyl-isochroman-5,6-diol | ...)
Show SMILES NC[C@@H]1OC(CC#C)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H15NO3/c1-2-3-8-6-10-9(12(7-14)17-8)4-5-11(15)13(10)16/h1,4-5,8,12,15-16H,3,6-7,14H2/t8?,12-/m0/s1
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n/an/an/an/a 67n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007138
PNG
(3-Cyclohexyl-1-cyclopropylaminomethyl-isochroman-5...)
Show SMILES Oc1ccc2[C@H](CNC3CC3)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c21-16-9-8-14-15(19(16)22)10-17(12-4-2-1-3-5-12)23-18(14)11-20-13-6-7-13/h8-9,12-13,17-18,20-22H,1-7,10-11H2/t17?,18-/m0/s1
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n/an/an/an/a 124n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/an/a 3.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(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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n/an/an/an/a 1.70n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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n/an/an/an/a 8.58E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007142
PNG
(3-Cyclohexyl-1-[(methyl-prop-2-ynyl-amino)-methyl]...)
Show SMILES CN(CC#C)C[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C20H27NO3/c1-3-11-21(2)13-19-15-9-10-17(22)20(23)16(15)12-18(24-19)14-7-5-4-6-8-14/h1,9-10,14,18-19,22-23H,4-8,11-13H2,2H3/t18?,19-/m0/s1
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n/an/an/an/a 38n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007133
PNG
(1-Aminomethyl-3-butyl-isochroman-5,6-diol | CHEMBL...)
Show SMILES CCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C14H21NO3/c1-2-3-4-9-7-11-10(13(8-15)18-9)5-6-12(16)14(11)17/h5-6,9,13,16-17H,2-4,7-8,15H2,1H3/t9?,13-/m0/s1
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n/an/an/an/a 359n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007144
PNG
(3-Cyclohexyl-1-prop-2-ynylaminomethyl-isochroman-5...)
Show SMILES Oc1ccc2[C@H](CNCC#C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H25NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h1,8-9,13,17-18,20-22H,3-7,10-12H2/t17?,18-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007135
PNG
(1-Aminomethyl-isochroman-5,6-diol | CHEMBL87958)
Show SMILES NC[C@@H]1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2/t9-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50007146
PNG
(1-Aminomethyl-3-hexyl-isochroman-5,6-diol | CHEMBL...)
Show SMILES CCCCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C16H25NO3/c1-2-3-4-5-6-11-9-13-12(15(10-17)20-11)7-8-14(18)16(13)19/h7-8,11,15,18-19H,2-6,9-10,17H2,1H3/t11?,15-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007124
PNG
(1-[(Allyl-methyl-amino)-methyl]-3-cyclohexyl-isoch...)
Show SMILES CN(CC=C)C[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C20H29NO3/c1-3-11-21(2)13-19-15-9-10-17(22)20(23)16(15)12-18(24-19)14-7-5-4-6-8-14/h3,9-10,14,18-19,22-23H,1,4-8,11-13H2,2H3/t18?,19-/m0/s1
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n/an/an/an/a 650n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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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n/an/an/an/a 1.02E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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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n/an/an/an/a 192n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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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n/an/an/an/a 7.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007146
PNG
(1-Aminomethyl-3-hexyl-isochroman-5,6-diol | CHEMBL...)
Show SMILES CCCCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C16H25NO3/c1-2-3-4-5-6-11-9-13-12(15(10-17)20-11)7-8-14(18)16(13)19/h7-8,11,15,18-19H,2-6,9-10,17H2,1H3/t11?,15-/m0/s1
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n/an/an/an/a 782n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007142
PNG
(3-Cyclohexyl-1-[(methyl-prop-2-ynyl-amino)-methyl]...)
Show SMILES CN(CC#C)C[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C20H27NO3/c1-3-11-21(2)13-19-15-9-10-17(22)20(23)16(15)12-18(24-19)14-7-5-4-6-8-14/h1,9-10,14,18-19,22-23H,4-8,11-13H2,2H3/t18?,19-/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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(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
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 8.30n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007139
PNG
(1-Aminomethyl-3-(3-methoxy-phenyl)-isochroman-5,6-...)
Show SMILES COc1cccc(c1)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C17H19NO4/c1-21-11-4-2-3-10(7-11)15-8-13-12(16(9-18)22-15)5-6-14(19)17(13)20/h2-7,15-16,19-20H,8-9,18H2,1H3/t15?,16-/m0/s1
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n/an/an/an/a 6.40n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(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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n/an/an/an/a 52n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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
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 5.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50453080
PNG
(CHEMBL2114209)
Show SMILES CC[C@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11-/m0/s1
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n/an/an/an/a 5.13E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007143
PNG
(1-Aminomethyl-3-(4-methoxy-benzyl)-isochroman-5,6-...)
Show SMILES COc1ccc(CC2Cc3c(O)c(O)ccc3[C@H](CN)O2)cc1
Show InChI InChI=1S/C18H21NO4/c1-22-12-4-2-11(3-5-12)8-13-9-15-14(17(10-19)23-13)6-7-16(20)18(15)21/h2-7,13,17,20-21H,8-10,19H2,1H3/t13?,17-/m0/s1
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n/an/an/an/a 237n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,18-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/an/a 6.70n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007130
PNG
(1-Aminomethyl-3-phenoxymethyl-isochroman-5,6-diol ...)
Show SMILES NC[C@@H]1OC(COc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO4/c18-9-16-13-6-7-15(19)17(20)14(13)8-12(22-16)10-21-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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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n/an/an/an/a 358n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/an/a 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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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n/an/an/an/a 7.03E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50453079
PNG
(CHEMBL2115213)
Show SMILES CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11+/m1/s1
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n/an/an/an/a 142n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007153
PNG
(1-Aminomethyl-3-benzyloxymethyl-isochroman-5,6-dio...)
Show SMILES NC[C@@H]1OC(COCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO4/c19-9-17-14-6-7-16(20)18(21)15(14)8-13(23-17)11-22-10-12-4-2-1-3-5-12/h1-7,13,17,20-21H,8-11,19H2/t13?,17-/m0/s1
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n/an/an/an/a 204n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007140
PNG
(1-Allylaminomethyl-3-cyclohexyl-isochroman-5,6-dio...)
Show SMILES Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h2,8-9,13,17-18,20-22H,1,3-7,10-12H2/t17?,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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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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n/an/an/an/a 427n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007143
PNG
(1-Aminomethyl-3-(4-methoxy-benzyl)-isochroman-5,6-...)
Show SMILES COc1ccc(CC2Cc3c(O)c(O)ccc3[C@H](CN)O2)cc1
Show InChI InChI=1S/C18H21NO4/c1-22-12-4-2-11(3-5-12)8-13-9-15-14(17(10-19)23-13)6-7-16(20)18(15)21/h2-7,13,17,20-21H,8-10,19H2,1H3/t13?,17-/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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007130
PNG
(1-Aminomethyl-3-phenoxymethyl-isochroman-5,6-diol ...)
Show SMILES NC[C@@H]1OC(COc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO4/c18-9-16-13-6-7-15(19)17(20)14(13)8-12(22-16)10-21-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007146
PNG
(1-Aminomethyl-3-hexyl-isochroman-5,6-diol | CHEMBL...)
Show SMILES CCCCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C16H25NO3/c1-2-3-4-5-6-11-9-13-12(15(10-17)20-11)7-8-14(18)16(13)19/h7-8,11,15,18-19H,2-6,9-10,17H2,1H3/t11?,15-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007136
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
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-/m1/s1
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n/an/an/an/a 2.85E+3n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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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n/an/an/an/a 3.91E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/an/a 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50453080
PNG
(CHEMBL2114209)
Show SMILES CC[C@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11-/m0/s1
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n/an/an/an/a 232n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007138
PNG
(3-Cyclohexyl-1-cyclopropylaminomethyl-isochroman-5...)
Show SMILES Oc1ccc2[C@H](CNC3CC3)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H27NO3/c21-16-9-8-14-15(19(16)22)10-17(12-4-2-1-3-5-12)23-18(14)11-20-13-6-7-13/h8-9,12-13,17-18,20-22H,1-7,10-11H2/t17?,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
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007127
PNG
(1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1
Show InChI InChI=1S/C18H27NO3/c19-11-17-13-8-9-15(20)18(21)14(13)10-16(22-17)12-6-4-2-1-3-5-7-12/h8-9,12,16-17,20-21H,1-7,10-11,19H2/t16?,17-/m0/s1
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n/an/an/an/a 760n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007153
PNG
(1-Aminomethyl-3-benzyloxymethyl-isochroman-5,6-dio...)
Show SMILES NC[C@@H]1OC(COCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO4/c19-9-17-14-6-7-16(20)18(21)15(14)8-13(23-17)11-22-10-12-4-2-1-3-5-12/h1-7,13,17,20-21H,8-11,19H2/t13?,17-/m0/s1
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n/an/an/an/a 89n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007150
PNG
(1-Aminomethyl-3-benzyl-isochroman-5,6-diol | CHEMB...)
Show SMILES NC[C@@H]1OC(Cc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO3/c18-10-16-13-6-7-15(19)17(20)14(13)9-12(21-16)8-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007124
PNG
(1-[(Allyl-methyl-amino)-methyl]-3-cyclohexyl-isoch...)
Show SMILES CN(CC=C)C[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C20H29NO3/c1-3-11-21(2)13-19-15-9-10-17(22)20(23)16(15)12-18(24-19)14-7-5-4-6-8-14/h3,9-10,14,18-19,22-23H,1,4-8,11-13H2,2H3/t18?,19-/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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007139
PNG
(1-Aminomethyl-3-(3-methoxy-phenyl)-isochroman-5,6-...)
Show SMILES COc1cccc(c1)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C17H19NO4/c1-21-11-4-2-3-10(7-11)15-8-13-12(16(9-18)22-15)5-6-14(19)17(13)20/h2-7,15-16,19-20H,8-9,18H2,1H3/t15?,16-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007132
PNG
(1-(Benzylamino-methyl)-3-cyclohexyl-isochroman-5,6...)
Show SMILES Oc1ccc2[C@H](CNCc3ccccc3)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C23H29NO3/c25-20-12-11-18-19(23(20)26)13-21(17-9-5-2-6-10-17)27-22(18)15-24-14-16-7-3-1-4-8-16/h1,3-4,7-8,11-12,17,21-22,24-26H,2,5-6,9-10,13-15H2/t21?,22-/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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007131
PNG
(3-Cyclohexyl-1-[(3-hydroxy-propylamino)-methyl]-is...)
Show SMILES OCCCNC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C19H29NO4/c21-10-4-9-20-12-18-14-7-8-16(22)19(23)15(14)11-17(24-18)13-5-2-1-3-6-13/h7-8,13,17-18,20-23H,1-6,9-12H2/t17?,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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007144
PNG
(3-Cyclohexyl-1-prop-2-ynylaminomethyl-isochroman-5...)
Show SMILES Oc1ccc2[C@H](CNCC#C)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C19H25NO3/c1-2-10-20-12-18-14-8-9-16(21)19(22)15(14)11-17(23-18)13-6-4-3-5-7-13/h1,8-9,13,17-18,20-22H,3-7,10-12H2/t17?,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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007127
PNG
(1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1
Show InChI InChI=1S/C18H27NO3/c19-11-17-13-8-9-15(20)18(21)14(13)10-16(22-17)12-6-4-2-1-3-5-7-12/h8-9,12,16-17,20-21H,1-7,10-11,19H2/t16?,17-/m0/s1
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n/an/an/an/a 5.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007128
PNG
(1-Aminomethyl-3-phenethyl-isochroman-5,6-diol | CH...)
Show SMILES NC[C@@H]1OC(CCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO3/c19-11-17-14-8-9-16(20)18(21)15(14)10-13(22-17)7-6-12-4-2-1-3-5-12/h1-5,8-9,13,17,20-21H,6-7,10-11,19H2/t13?,17-/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
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007128
PNG
(1-Aminomethyl-3-phenethyl-isochroman-5,6-diol | CH...)
Show SMILES NC[C@@H]1OC(CCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO3/c19-11-17-14-8-9-16(20)18(21)15(14)10-13(22-17)7-6-12-4-2-1-3-5-12/h1-5,8-9,13,17,20-21H,6-7,10-11,19H2/t13?,17-/m0/s1
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n/an/an/an/a 5.20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007132
PNG
(1-(Benzylamino-methyl)-3-cyclohexyl-isochroman-5,6...)
Show SMILES Oc1ccc2[C@H](CNCc3ccccc3)OC(Cc2c1O)C1CCCCC1
Show InChI InChI=1S/C23H29NO3/c25-20-12-11-18-19(23(20)26)13-21(17-9-5-2-6-10-17)27-22(18)15-24-14-16-7-3-1-4-8-16/h1,3-4,7-8,11-12,17,21-22,24-26H,2,5-6,9-10,13-15H2/t21?,22-/m0/s1
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n/an/an/an/a 2.73E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007141
PNG
(1-Aminomethyl-3-benzhydryl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23NO3/c24-14-21-17-11-12-19(25)23(26)18(17)13-20(27-21)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,20-22,25-26H,13-14,24H2/t20?,21-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007135
PNG
(1-Aminomethyl-isochroman-5,6-diol | CHEMBL87958)
Show SMILES NC[C@@H]1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2/t9-/m0/s1
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n/an/an/an/a 2.85E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007150
PNG
(1-Aminomethyl-3-benzyl-isochroman-5,6-diol | CHEMB...)
Show SMILES NC[C@@H]1OC(Cc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO3/c18-10-16-13-6-7-15(19)17(20)14(13)9-12(21-16)8-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/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
Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50007128
PNG
(1-Aminomethyl-3-phenethyl-isochroman-5,6-diol | CH...)
Show SMILES NC[C@@H]1OC(CCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO3/c19-11-17-14-8-9-16(20)18(21)15(14)10-13(22-17)7-6-12-4-2-1-3-5-12/h1-5,8-9,13,17,20-21H,6-7,10-11,19H2/t13?,17-/m0/s1
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n/an/an/an/a 19n/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)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/an/a 3.5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50453079
PNG
(CHEMBL2115213)
Show SMILES CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C12H17NO3/c1-2-7-5-9-8(11(6-13)16-7)3-4-10(14)12(9)15/h3-4,7,11,14-15H,2,5-6,13H2,1H3/t7-,11+/m1/s1
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n/an/an/an/a 1.08E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007130
PNG
(1-Aminomethyl-3-phenoxymethyl-isochroman-5,6-diol ...)
Show SMILES NC[C@@H]1OC(COc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO4/c18-9-16-13-6-7-15(19)17(20)14(13)8-12(22-16)10-21-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007131
PNG
(3-Cyclohexyl-1-[(3-hydroxy-propylamino)-methyl]-is...)
Show SMILES OCCCNC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C19H29NO4/c21-10-4-9-20-12-18-14-7-8-16(22)19(23)15(14)11-17(24-18)13-5-2-1-3-6-13/h7-8,13,17-18,20-23H,1-6,9-12H2/t17?,18-/m0/s1
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n/an/an/an/a 1.74E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007133
PNG
(1-Aminomethyl-3-butyl-isochroman-5,6-diol | CHEMBL...)
Show SMILES CCCCC1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C14H21NO3/c1-2-3-4-9-7-11-10(13(8-15)18-9)5-6-12(16)14(11)17/h5-6,9,13,16-17H,2-4,7-8,15H2,1H3/t9?,13-/m0/s1
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n/an/an/an/a 6.30n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (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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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (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
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>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
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 386n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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n/an/an/an/a 1.30n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


Article DOI: 10.1021/jm00112a034
BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%