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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'sharabi' and Initial = 'fm'   
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(1A)/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 510n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50224035
PNG
(79907 | Lergotrile)
Show SMILES [H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C
Show InChI InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223956
PNG
(CHEMBL555412)
Show SMILES Br.CN(C)C1Cc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C11H15NO2/c1-12(2)9-3-7-5-10(13)11(14)6-8(7)4-9/h5-6,9,13-14H,3-4H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223957
PNG
(CHEMBL544931)
Show SMILES Br.CCCN(CCC)C1Cc2ccc(O)c(O)c2C1
Show InChI InChI=1S/C15H23NO2.BrH/c1-3-7-16(8-4-2)12-9-11-5-6-14(17)15(18)13(11)10-12;/h5-6,12,17-18H,3-4,7-10H2,1-2H3;1H
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223901
PNG
(CHEMBL544695)
Show SMILES Br.CN(C)C1Cc2ccc(O)c(O)c2C1
Show InChI InChI=1S/C11H15NO2.BrH/c1-12(2)8-5-7-3-4-10(13)11(14)9(7)6-8;/h3-4,8,13-14H,5-6H2,1-2H3;1H
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50107876
PNG
((5,6-Dimethoxy-indan-2-yl)-dipropyl-amine | CHEMBL...)
Show SMILES CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50290378
PNG
(2-Dipropylamino-indan-5,6-diol | CHEMBL277743)
Show SMILES CCCN(CCC)C1Cc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C15H23NO2/c1-3-5-16(6-4-2)13-7-11-9-14(17)15(18)10-12(11)8-13/h9-10,13,17-18H,3-8H2,1-2H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50224035
PNG
(79907 | Lergotrile)
Show SMILES [H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C
Show InChI InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1
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n/an/a 2.37E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223959
PNG
(CHEMBL538227)
Show SMILES Br.CCN(CC)C1Cc2ccc(OC)c(OC)c2C1
Show InChI InChI=1S/C15H23NO2.BrH/c1-5-16(6-2)12-9-11-7-8-14(17-3)15(18-4)13(11)10-12;/h7-8,12H,5-6,9-10H2,1-4H3;1H
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n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50224033
PNG
(CHEMBL540009)
Show SMILES Br.CCN(CC)C1Cc2ccc(O)c(O)c2C1
Show InChI InChI=1S/C13H19NO2.BrH/c1-3-14(4-2)10-7-9-5-6-12(15)13(16)11(9)8-10;/h5-6,10,15-16H,3-4,7-8H2,1-2H3;1H
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n/an/a 3.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50224034
PNG
(CHEMBL538726)
Show SMILES Cl.COc1cc2CC(Cc2cc1OC)N(C)C
Show InChI InChI=1S/C13H19NO2/c1-14(2)11-5-9-7-12(15-3)13(16-4)8-10(9)6-11/h7-8,11H,5-6H2,1-4H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223957
PNG
(CHEMBL544931)
Show SMILES Br.CCCN(CCC)C1Cc2ccc(O)c(O)c2C1
Show InChI InChI=1S/C15H23NO2.BrH/c1-3-7-16(8-4-2)12-9-11-5-6-14(17)15(18)13(11)10-12;/h5-6,12,17-18H,3-4,7-10H2,1-2H3;1H
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n/an/a 5.39E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223901
PNG
(CHEMBL544695)
Show SMILES Br.CN(C)C1Cc2ccc(O)c(O)c2C1
Show InChI InChI=1S/C11H15NO2.BrH/c1-12(2)8-5-7-3-4-10(13)11(14)9(7)6-8;/h3-4,8,13-14H,5-6H2,1-2H3;1H
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n/an/a 9.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223900
PNG
(CHEMBL34176)
Show SMILES COc1ccc2CC(Cc2c1OC)N(C)C
Show InChI InChI=1S/C13H19NO2/c1-14(2)10-7-9-5-6-12(15-3)13(16-4)11(9)8-10/h5-6,10H,7-8H2,1-4H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223956
PNG
(CHEMBL555412)
Show SMILES Br.CN(C)C1Cc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C11H15NO2/c1-12(2)9-3-7-5-10(13)11(14)6-8(7)4-9/h5-6,9,13-14H,3-4H2,1-2H3
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n/an/a 1.04E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223958
PNG
(CHEMBL544697)
Show SMILES Cl.CCCNC1Cc2ccc(OC)c(OC)c2C1
Show InChI InChI=1S/C14H21NO2.ClH/c1-4-7-15-11-8-10-5-6-13(16-2)14(17-3)12(10)9-11;/h5-6,11,15H,4,7-9H2,1-3H3;1H
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n/an/a 1.05E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/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 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50224033
PNG
(CHEMBL540009)
Show SMILES Br.CCN(CC)C1Cc2ccc(O)c(O)c2C1
Show InChI InChI=1S/C13H19NO2.BrH/c1-3-14(4-2)10-7-9-5-6-12(15)13(16)11(9)8-10;/h5-6,10,15-16H,3-4,7-8H2,1-2H3;1H
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n/an/a 2.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50224036
PNG
(CHEMBL543991)
Show SMILES Br.CCN(CC)C1Cc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C13H19NO2/c1-3-14(4-2)11-5-9-7-12(15)13(16)8-10(9)6-11/h7-8,11,15-16H,3-6H2,1-2H3
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n/an/a 2.46E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50224034
PNG
(CHEMBL538726)
Show SMILES Cl.COc1cc2CC(Cc2cc1OC)N(C)C
Show InChI InChI=1S/C13H19NO2/c1-14(2)11-5-9-7-12(15-3)13(16-4)8-10(9)6-11/h7-8,11H,5-6H2,1-4H3
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n/an/a 4.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50290378
PNG
(2-Dipropylamino-indan-5,6-diol | CHEMBL277743)
Show SMILES CCCN(CCC)C1Cc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C15H23NO2/c1-3-5-16(6-4-2)13-7-11-9-14(17)15(18)10-12(11)8-13/h9-10,13,17-18H,3-8H2,1-2H3
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n/an/a 4.12E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223959
PNG
(CHEMBL538227)
Show SMILES Br.CCN(CC)C1Cc2ccc(OC)c(OC)c2C1
Show InChI InChI=1S/C15H23NO2.BrH/c1-5-16(6-2)12-9-11-7-8-14(17-3)15(18-4)13(11)10-12;/h7-8,12H,5-6,9-10H2,1-4H3;1H
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n/an/a 1.66E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223900
PNG
(CHEMBL34176)
Show SMILES COc1ccc2CC(Cc2c1OC)N(C)C
Show InChI InChI=1S/C13H19NO2/c1-14(2)10-7-9-5-6-12(15-3)13(16-4)11(9)8-10/h5-6,10H,7-8H2,1-4H3
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n/an/a 2.30E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50223958
PNG
(CHEMBL544697)
Show SMILES Cl.CCCNC1Cc2ccc(OC)c(OC)c2C1
Show InChI InChI=1S/C14H21NO2.ClH/c1-4-7-15-11-8-10-5-6-13(16-2)14(17-3)12(10)9-11;/h5-6,11,15H,4,7-9H2,1-3H3;1H
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n/an/a 5.10E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair
D(1A)/D(2) dopamine receptor


(BOVINE)
BDBM50107876
PNG
((5,6-Dimethoxy-indan-2-yl)-dipropyl-amine | CHEMBL...)
Show SMILES CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
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n/an/a 1.47E+8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.


J Med Chem 25: 1442-6 (1982)


BindingDB Entry DOI: 10.7270/Q2XD13WD
More data for this
Ligand-Target Pair