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PubMed code 1652023

Compile data set for download or QSAR
Found 161 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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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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13.7n/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


Citation and Details
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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14.1n/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


Citation and Details
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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30.4n/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


Citation and Details
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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31.7n/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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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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64.1n/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


Citation and Details
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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88.7n/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


Citation and Details
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

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


Citation and Details
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

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


Citation and Details
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

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


Citation and Details
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


Citation and Details
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


Citation and Details
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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374n/an/an/an/an/an/an/an/a



Abbott Laboratories

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


Citation and Details
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


Citation and Details
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

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


Citation and Details
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

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


Citation and Details
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

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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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1.28E+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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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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1.54E+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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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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2.45E+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


Citation and Details
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


Citation and Details
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


Citation and Details
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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2.60E+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


Citation and Details
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


Citation and Details
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


Citation and Details
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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2.71E+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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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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4.68E+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


Citation and Details
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


Citation and Details
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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5.54E+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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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Abbott Laboratories

Curated by ChEMBL


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


Citation and Details
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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Abbott Laboratories

Curated by ChEMBL


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


Citation and Details
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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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


Citation and Details
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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Abbott Laboratories

Curated by ChEMBL


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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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1.23E+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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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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...


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 13.6n/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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 2.02n/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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 1.02n/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


Citation and Details
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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n/an/an/an/a 359n/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


Citation and Details
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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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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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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n/an/an/an/a 18.9n/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


Citation and Details
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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n/an/an/an/a 8.30n/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


Citation and Details
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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n/an/an/an/a 760n/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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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n/an/an/an/a 3.91E+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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 34.4n/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


Citation and Details
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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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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 46.5n/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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 16.4n/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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 1.95n/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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 37.6n/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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 12.5n/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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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 39.8n/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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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 52.3n/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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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 68.7n/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


Citation and Details
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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n/an/an/an/a 23.4n/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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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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n/an/an/an/a 24n/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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%