Found 47 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
DOPAMINE
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | UniProtKB/SwissProt
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D1 receptor
(Carassius auratus) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50007129
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)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 | UniProtKB/SwissProt
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | UniProtKB/SwissProt
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PC sid
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50008832
(1-Aminomethyl-3-cyclohexyl-isochroman-5,6-diol | C...)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 | UniProtKB/SwissProt
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D1 receptor
(Carassius auratus) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | Reactome pathway
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D1 receptor
(Carassius auratus) | BDBM50008828
(1-Aminomethyl-3-phenyl-isochroman-5-ol; hydrochlor...)Show InChI InChI=1S/C16H17NO2/c17-10-16-12-7-4-8-14(18)13(12)9-15(19-16)11-5-2-1-3-6-11/h1-8,15-16,18H,9-10,17H2/t15-,16-/m0/s1 | Reactome pathway
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Serotonin (5-HT) receptor
(Rattus norvegicus (rat)) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | Reactome pathway
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1A receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | Reactome pathway
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1C receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50004822
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)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 | UniProtKB/SwissProt
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | UniProtKB/SwissProt
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| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D1 receptor
(Carassius auratus) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | Reactome pathway
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50008828
(1-Aminomethyl-3-phenyl-isochroman-5-ol; hydrochlor...)Show InChI InChI=1S/C16H17NO2/c17-10-16-12-7-4-8-14(18)13(12)9-15(19-16)11-5-2-1-3-6-11/h1-8,15-16,18H,9-10,17H2/t15-,16-/m0/s1 | UniProtKB/SwissProt
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PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D1 receptor
(Carassius auratus) | BDBM50008831
(3-Cyclohexyl-6-methyl-1-methylaminomethyl-isochrom...)Show SMILES CNC[C@@H]1O[C@@H](Cc2c(O)c(C)ccc12)C1CCCCC1 Show InChI InChI=1S/C18H27NO2/c1-12-8-9-14-15(18(12)20)10-16(21-17(14)11-19-2)13-6-4-3-5-7-13/h8-9,13,16-17,19-20H,3-7,10-11H2,1-2H3/t16-,17-/m0/s1 | Reactome pathway
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| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D1 receptor
(Carassius auratus) | BDBM50008827
(3-Cyclohexyl-1-dimethylaminomethyl-6-methyl-isochr...)Show SMILES CN(C)C[C@@H]1O[C@@H](Cc2c(O)c(C)ccc12)C1CCCCC1 Show InChI InChI=1S/C19H29NO2/c1-13-9-10-15-16(19(13)21)11-17(14-7-5-4-6-8-14)22-18(15)12-20(2)3/h9-10,14,17-18,21H,4-8,11-12H2,1-3H3/t17-,18-/m0/s1 | Reactome pathway
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| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50008830
(1-Aminomethyl-6-methoxy-3-phenyl-isochroman-5-ol; ...)Show InChI InChI=1S/C17H19NO3/c1-20-14-8-7-12-13(17(14)19)9-15(21-16(12)10-18)11-5-3-2-4-6-11/h2-8,15-16,19H,9-10,18H2,1H3/t15-,16-/m0/s1 | UniProtKB/SwissProt
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| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D1 receptor
(Carassius auratus) | BDBM50008829
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15+/m0/s1 | Reactome pathway
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PubMed
| 197 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | Reactome pathway
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PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1C receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| 242 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 2 receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D1 receptor
(Carassius auratus) | BDBM50008830
(1-Aminomethyl-6-methoxy-3-phenyl-isochroman-5-ol; ...)Show InChI InChI=1S/C17H19NO3/c1-20-14-8-7-12-13(17(14)19)9-15(21-16(12)10-18)11-5-3-2-4-6-11/h2-8,15-16,19H,9-10,18H2,1H3/t15-,16-/m0/s1 | Reactome pathway
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PubMed
| 247 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50008831
(3-Cyclohexyl-6-methyl-1-methylaminomethyl-isochrom...)Show SMILES CNC[C@@H]1O[C@@H](Cc2c(O)c(C)ccc12)C1CCCCC1 Show InChI InChI=1S/C18H27NO2/c1-12-8-9-14-15(18(12)20)10-16(21-17(14)11-19-2)13-6-4-3-5-7-13/h8-9,13,16-17,19-20H,3-7,10-11H2,1-2H3/t16-,17-/m0/s1 | UniProtKB/SwissProt
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PC cid
PC sid
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| Article
PubMed
| 263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50008827
(3-Cyclohexyl-1-dimethylaminomethyl-6-methyl-isochr...)Show SMILES CN(C)C[C@@H]1O[C@@H](Cc2c(O)c(C)ccc12)C1CCCCC1 Show InChI InChI=1S/C19H29NO2/c1-13-9-10-15-16(19(13)21)11-17(14-7-5-4-6-8-14)22-18(15)12-20(2)3/h9-10,14,17-18,21H,4-8,11-12H2,1-3H3/t17-,18-/m0/s1 | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| 284 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Serotonin (5-HT) receptor
(Rattus norvegicus (rat)) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1A receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Adrenergic receptor alpha-2
(Homo sapiens (Human)) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PubMed
| 358 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for alpha-2 adrenergic receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Adrenergic receptor alpha-2
(Homo sapiens (Human)) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
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antibodypedia
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PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for alpha-2 adrenergic receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50008829
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 366 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D1 receptor
(Carassius auratus) | BDBM50008826
(3-Cyclohexyl-6-methyl-1-propylaminomethyl-isochrom...)Show SMILES CCCNC[C@@H]1O[C@@H](Cc2c(O)c(C)ccc12)C1CCCCC1 Show InChI InChI=1S/C20H31NO2/c1-3-11-21-13-19-16-10-9-14(2)20(22)17(16)12-18(23-19)15-7-5-4-6-8-15/h9-10,15,18-19,21-22H,3-8,11-13H2,1-2H3/t18-,19-/m0/s1 | Reactome pathway
KEGG
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| 454 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dopamine stimulated adenylate cyclase |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | PDB
Reactome pathway
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| 569 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50007129
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)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 | PDB
Reactome pathway
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| 776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
Reactome pathway
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| 886 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50008832
(1-Aminomethyl-3-cyclohexyl-isochroman-5,6-diol | C...)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 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
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| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Adrenergic receptor alpha-1
(Homo sapiens (Human)) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| CHEMBL
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| Article
PubMed
| 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for alpha-1 adrenergic receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for dopamine uptake site |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50008829
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15+/m0/s1 | PDB
Reactome pathway
KEGG
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| Article
PubMed
| 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50008826
(3-Cyclohexyl-6-methyl-1-propylaminomethyl-isochrom...)Show SMILES CCCNC[C@@H]1O[C@@H](Cc2c(O)c(C)ccc12)C1CCCCC1 Show InChI InChI=1S/C20H31NO2/c1-3-11-21-13-19-16-10-9-14(2)20(22)17(16)12-18(23-19)15-7-5-4-6-8-15/h9-10,15,18-19,21-22H,3-8,11-13H2,1-2H3/t18-,19-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
DOPAMINE
(RAT) | BDBM50008826
(3-Cyclohexyl-6-methyl-1-propylaminomethyl-isochrom...)Show SMILES CCCNC[C@@H]1O[C@@H](Cc2c(O)c(C)ccc12)C1CCCCC1 Show InChI InChI=1S/C20H31NO2/c1-3-11-21-13-19-16-10-9-14(2)20(22)17(16)12-18(23-19)15-7-5-4-6-8-15/h9-10,15,18-19,21-22H,3-8,11-13H2,1-2H3/t18-,19-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D1 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50008831
(3-Cyclohexyl-6-methyl-1-methylaminomethyl-isochrom...)Show SMILES CNC[C@@H]1O[C@@H](Cc2c(O)c(C)ccc12)C1CCCCC1 Show InChI InChI=1S/C18H27NO2/c1-12-8-9-14-15(18(12)20)10-16(21-17(14)11-19-2)13-6-4-3-5-7-13/h8-9,13,16-17,19-20H,3-7,10-11H2,1-2H3/t16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 2 receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50004822
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)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 | PDB
Reactome pathway
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| 6.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50008827
(3-Cyclohexyl-1-dimethylaminomethyl-6-methyl-isochr...)Show SMILES CN(C)C[C@@H]1O[C@@H](Cc2c(O)c(C)ccc12)C1CCCCC1 Show InChI InChI=1S/C19H29NO2/c1-13-9-10-15-16(19(13)21)11-17(14-7-5-4-6-8-14)22-18(15)12-20(2)3/h9-10,14,17-18,21H,4-8,11-12H2,1-3H3/t17-,18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
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Similars
| Article
PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Canis familiaris) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for beta receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Canis familiaris) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for beta receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50008828
(1-Aminomethyl-3-phenyl-isochroman-5-ol; hydrochlor...)Show InChI InChI=1S/C16H17NO2/c17-10-16-12-7-4-8-14(18)13(12)9-15(19-16)11-5-2-1-3-6-11/h1-8,15-16,18H,9-10,17H2/t15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Adrenergic receptor alpha-1
(Homo sapiens (Human)) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for binding affinity for alpha-1 adrenergic receptor |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50008825
(1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-o...)Show InChI InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM50008830
(1-Aminomethyl-6-methoxy-3-phenyl-isochroman-5-ol; ...)Show InChI InChI=1S/C17H19NO3/c1-20-14-8-7-12-13(17(14)19)9-15(21-16(12)10-18)11-5-3-2-4-6-11/h2-8,15-16,19H,9-10,18H2,1H3/t15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine receptor D2 |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50008824
(1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...)Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for dopamine uptake site |
J Med Chem 34: 2946-53 (1991)
Article DOI: 10.1021/jm00114a002
BindingDB Entry DOI: 10.7270/Q2H132MN |
More data for this
Ligand-Target Pair | |
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