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PubMed code 2955118

Compile data set for download or QSAR
Found 18 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
D(2) dopamine receptor


(BOVINE)
BDBM50020682
PNG
(7-(2-Dipropylamino-ethyl)-4-hydroxy-3H-benzothiazo...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C15H22N2O2S/c1-3-8-17(9-4-2)10-7-11-5-6-12(18)13-14(11)20-15(19)16-13/h5-6,18H,3-4,7-10H2,1-2H3,(H,16,19)
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n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50019393
PNG
(4-(2-Dipropylamino-ethyl)-7-hydroxy-1,3-dihydro-in...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O2/c1-3-8-18(9-4-2)10-7-12-5-6-14(19)16-13(12)11-15(20)17-16/h5-6,19H,3-4,7-11H2,1-2H3,(H,17,20)
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n/an/a 530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020677
PNG
(4-(2-Dipropylamino-ethyl)-7-hydroxy-1H-indole-2,3-...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2NC(=O)C(=O)c12
Show InChI InChI=1S/C16H22N2O3/c1-3-8-18(9-4-2)10-7-11-5-6-12(19)14-13(11)15(20)16(21)17-14/h5-6,19H,3-4,7-10H2,1-2H3,(H,17,20,21)
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n/an/a 560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020684
PNG
(4-(2-Dipropylamino-ethyl)-7-hydroxy-1,3-dihydro-be...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C15H23N3O2/c1-3-8-18(9-4-2)10-7-11-5-6-12(19)14-13(11)16-15(20)17-14/h5-6,19H,3-4,7-10H2,1-2H3,(H2,16,17,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020678
PNG
(7-(2-Dipropylamino-ethyl)-3H-benzothiazol-2-one | ...)
Show SMILES CCCN(CCC)CCc1cccc2[nH]c(=O)sc12
Show InChI InChI=1S/C15H22N2OS/c1-3-9-17(10-4-2)11-8-12-6-5-7-13-14(12)19-15(18)16-13/h5-7H,3-4,8-11H2,1-2H3,(H,16,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020685
PNG
(7-(2-Dipropylamino-ethyl)-4-hydroxy-3H-benzooxazol...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2[nH]c(=O)oc12
Show InChI InChI=1S/C15H22N2O3/c1-3-8-17(9-4-2)10-7-11-5-6-12(18)13-14(11)20-15(19)16-13/h5-6,18H,3-4,7-10H2,1-2H3,(H,16,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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n/an/a 1.58E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020679
PNG
(7-(2-Amino-ethyl)-4-hydroxy-3H-benzothiazol-2-one ...)
Show SMILES NCCc1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C9H10N2O2S/c10-4-3-5-1-2-6(12)7-8(5)14-9(13)11-7/h1-2,12H,3-4,10H2,(H,11,13)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
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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n/an/a 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020686
PNG
(4-(2-Amino-ethyl)-7-hydroxy-1,3-dihydro-indol-2-on...)
Show SMILES NCCc1ccc(O)c2NC(=O)Cc12
Show InChI InChI=1S/C10H12N2O2/c11-4-3-6-1-2-8(13)10-7(6)5-9(14)12-10/h1-2,13H,3-5,11H2,(H,12,14)
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n/an/a 4.85E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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n/an/a 6.81E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50020683
PNG
(7-(2-Amino-ethyl)-3H-benzothiazol-2-one | CHEMBL44...)
Show SMILES NCCc1cccc2[nH]c(=O)sc12
Show InChI InChI=1S/C9H10N2OS/c10-5-4-6-2-1-3-7-8(6)13-9(12)11-7/h1-3H,4-5,10H2,(H,11,12)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50019393
PNG
(4-(2-Dipropylamino-ethyl)-7-hydroxy-1,3-dihydro-in...)
Show SMILES CCCN(CCC)CCc1ccc(O)c2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O2/c1-3-8-18(9-4-2)10-7-12-5-6-14(19)16-13(12)11-15(20)17-16/h5-6,19H,3-4,7-11H2,1-2H3,(H,17,20)
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n/an/an/an/a 2.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopamine D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50020679
PNG
(7-(2-Amino-ethyl)-4-hydroxy-3H-benzothiazol-2-one ...)
Show SMILES NCCc1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C9H10N2O2S/c10-4-3-5-1-2-6(12)7-8(5)14-9(13)11-7/h1-2,12H,3-4,10H2,(H,11,13)
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n/an/an/an/a 295n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes. Partial agonist...


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50020686
PNG
(4-(2-Amino-ethyl)-7-hydroxy-1,3-dihydro-indol-2-on...)
Show SMILES NCCc1ccc(O)c2NC(=O)Cc12
Show InChI InChI=1S/C10H12N2O2/c11-4-3-6-1-2-8(13)10-7(6)5-9(14)12-10/h1-2,13H,3-5,11H2,(H,12,14)
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n/an/an/an/a 4.65E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes. Partial agonist...


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50019396
PNG
(4-(2-Dipropylamino-ethyl)-benzene-1,2-diol | 4-(2-...)
Show SMILES CCCN(CCC)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C14H23NO2/c1-3-8-15(9-4-2)10-7-12-5-6-13(16)14(17)11-12/h5-6,11,16-17H,3-4,7-10H2,1-2H3
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n/an/an/an/a 1.25E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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n/an/an/an/a 57n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(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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n/an/an/an/a 3.50E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes


J Med Chem 30: 1166-76 (1987)


BindingDB Entry DOI: 10.7270/Q2028QJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%