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PubMed code 1977907

Compile data set for download or QSAR
Found 26 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)
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 was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)


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 was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(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
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64n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)


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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776n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]N-(p-aminophenethyl)-spiroperidol from Dopamine receptor D2 in rat caudate...


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(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
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1.03E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(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
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1.03E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(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
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4.61E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]N-(p-aminophenethyl)-spiroperidol from Dopamine receptor D2 in rat caudate...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(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
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4.61E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]N-(p-aminophenethyl)-spiroperidol from Dopamine receptor D2 in rat caudate...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(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
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6.87E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]N-(p-aminophenethyl)-spiroperidol from Dopamine receptor D2 in rat caudate...


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 was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)


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 was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)


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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]N-(p-aminophenethyl)-spiroperidol from Dopamine receptor D2 in rat caudate...


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 3.91E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe


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 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D1 in vitro in 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 2.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D1 in vitro in carp retina


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(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
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n/an/an/an/a 2.85E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe


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


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(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
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n/an/an/an/a 386n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D1 in vitro in 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 3.91E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe


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


(Homo sapiens (Human))
BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(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
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n/an/an/an/a 490n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D1 in vitro in carp retina


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


(Homo sapiens (Human))
BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(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
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n/an/an/an/a 490n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D1 in vitro in carp retina


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(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
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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe


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
Formation of cAMP on Dopamine receptor D1 in vitro in carp retina


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(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
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n/an/an/an/a 2.85E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe


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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe


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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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe


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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 8.58E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D1 in vitro in carp retina


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