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PubMed code 8568818

Compile data set for download or QSAR
Found 12 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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PubMed
n/an/an/an/a 1.95n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50035644
PNG
((6aR,12bR)-6-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES CN1Cc2ccccc2[C@H]2[C@H]1CCc1c(O)c(O)ccc21
Show InChI InChI=1S/C18H19NO2/c1-19-10-11-4-2-3-5-12(11)17-13-7-9-16(20)18(21)14(13)6-8-15(17)19/h2-5,7,9,15,17,20-21H,6,8,10H2,1H3/t15-,17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50010684
PNG
((6aR,12bS)-6-Propyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES CCCN1Cc2ccccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C20H23NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19(23)18(22)10-13(16)7-8-17(20)21/h3-6,10-11,17,20,22-23H,2,7-9,12H2,1H3/t17-,20-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50010685
PNG
((+/-)-trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahyd...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17+/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50049046
PNG
((6aR,12bS)-6-Allyl-5,6,6a,7,8,12b-hexahydro-benzo[...)
Show SMILES Oc1cc2CC[C@@H]3[C@H](c4ccccc4CN3CC=C)c2cc1O
Show InChI InChI=1S/C20H21NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19(23)18(22)10-13(16)7-8-17(20)21/h2-6,10-11,17,20,22-23H,1,7-9,12H2/t17-,20-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50010689
PNG
((S)-4-(4,5,6,7-Tetrahydro-thieno[2,3-c]pyridin-4-y...)
Show SMILES Oc1ccc(cc1O)[C@@H]1CNCc2sccc12
Show InChI InChI=1S/C13H13NO2S/c15-11-2-1-8(5-12(11)16)10-6-14-7-13-9(10)3-4-17-13/h1-5,10,14-16H,6-7H2/t10-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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KEGG
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n/an/an/an/a 5.00E+3n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50049048
PNG
((R)-3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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n/an/an/an/a 491n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50033116
PNG
((1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2
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



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50010688
PNG
(6-Benzylamino-5,6,7,8-tetrahydro-naphthalene-2,3-d...)
Show SMILES Oc1cc2CCC(Cc2cc1O)NCc1ccccc1
Show InChI InChI=1S/C17H19NO2/c19-16-9-13-6-7-15(8-14(13)10-17(16)20)18-11-12-4-2-1-3-5-12/h1-5,9-10,15,18-20H,6-8,11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50049045
PNG
(6-Benzylamino-5,6,7,8-tetrahydro-naphthalene-1,2-d...)
Show SMILES Oc1ccc2CC(CCc2c1O)NCc1ccccc1
Show InChI InChI=1S/C17H19NO2/c19-16-9-6-13-10-14(7-8-15(13)17(16)20)18-11-12-4-2-1-3-5-12/h1-6,9,14,18-20H,7-8,10-11H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional acti...


J Med Chem 39: 285-96 (1996)


Article DOI: 10.1021/jm9502100
BindingDB Entry DOI: 10.7270/Q2NZ86Q3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%