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Compile Data Set for Download or QSAR

Found 616 hits with Last Name = 'brossi' and Initial = 'a'   
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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222197
PNG
(CHEBI:15944 | CHEMBL155870)
Show SMILES COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50027331
PNG
(1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222194
PNG
(CHEBI:28651 | CHEMBL348881)
Show SMILES Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50222199
PNG
(CHEMBL157948)
Show SMILES Oc1cc(Br)c(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H16BrNO4/c17-11-7-16(22)14(20)5-9(11)3-12-10-6-15(21)13(19)4-8(10)1-2-18-12/h4-7,12,18-22H,1-3H2
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222135
PNG
(CHEMBL347351)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-7-10(2-3-14(17)19)6-13-12-9-16(21)15(20)8-11(12)4-5-18-13/h2-3,7-9,13,18-21H,4-6H2,1H3
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222195
PNG
(TETRAHYDROPAPAVERINE | Tetrahydropapaverine)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014651
PNG
(2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...)
Show SMILES CN1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222193
PNG
(CHEBI:28611 | CHEMBL349584)
Show SMILES COc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50222193
PNG
(CHEBI:28611 | CHEMBL349584)
Show SMILES COc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50222199
PNG
(CHEMBL157948)
Show SMILES Oc1cc(Br)c(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H16BrNO4/c17-11-7-16(22)14(20)5-9(11)3-12-10-6-15(21)13(19)4-8(10)1-2-18-12/h4-7,12,18-22H,1-3H2
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025881
PNG
(4-(3,4-Dihydroxy-phenyl)-1-methyl-pyridinium; brom...)
Show SMILES C[n+]1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H11NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-8,15H,1H3/p+1
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1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive Inhibitory activity against rat striatal synaptosomal DHPR enzyme


J Med Chem 28: 311-7 (1985)


Article DOI: 10.1021/jm00381a009
BindingDB Entry DOI: 10.7270/Q2XK8DKG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014661
PNG
(6,7,8-Trimethoxy-1-methyl-3,4-dihydro-isoquinoline...)
Show SMILES COc1cc2CCN=C(C)c2c(OC)c1OC
Show InChI InChI=1S/C13H17NO3/c1-8-11-9(5-6-14-8)7-10(15-2)12(16-3)13(11)17-4/h7H,5-6H2,1-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014633
PNG
(6,7-Dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydro-isoq...)
Show SMILES COc1cc2CCN(C)[C@@H](C)c2cc1OC
Show InChI InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50222194
PNG
(CHEBI:28651 | CHEMBL348881)
Show SMILES Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Homo sapiens (Human))
BDBM50025879
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-pheno...)
Show SMILES CN1CCC(=CC1)c1ccc(O)cc1
Show InChI InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3
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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dihydrofolate reductase of rat liver


J Med Chem 28: 311-7 (1985)


Article DOI: 10.1021/jm00381a009
BindingDB Entry DOI: 10.7270/Q2XK8DKG
More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025878
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-benze...)
Show SMILES CN1CCC(=CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H15NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-4,8,14-15H,5-7H2,1H3
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3.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dihydrofolate reductase of rat liver


J Med Chem 28: 311-7 (1985)


Article DOI: 10.1021/jm00381a009
BindingDB Entry DOI: 10.7270/Q2XK8DKG
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50222196
PNG
(CHEBI:46816 | CHEMBL155707)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3
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3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014638
PNG
(6-Methoxy-2-methyl-3,4-dihydro-isoquinolinium; iod...)
Show SMILES COc1ccc2C=[N+](C)CCc2c1
Show InChI InChI=1S/C11H14NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7-8H,5-6H2,1-2H3/q+1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222196
PNG
(CHEBI:46816 | CHEMBL155707)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014656
PNG
(6,7-Dimethoxy-1-methyl-3,4-dihydro-isoquinoline | ...)
Show SMILES COc1cc2CCN=C(C)c2cc1OC
Show InChI InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
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4.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50222197
PNG
(CHEBI:15944 | CHEMBL155870)
Show SMILES COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3
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4.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50222135
PNG
(CHEMBL347351)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-7-10(2-3-14(17)19)6-13-12-9-16(21)15(20)8-11(12)4-5-18-13/h2-3,7-9,13,18-21H,4-6H2,1H3
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4.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50222193
PNG
(CHEBI:28611 | CHEMBL349584)
Show SMILES COc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50222135
PNG
(CHEMBL347351)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-7-10(2-3-14(17)19)6-13-12-9-16(21)15(20)8-11(12)4-5-18-13/h2-3,7-9,13,18-21H,4-6H2,1H3
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50222194
PNG
(CHEBI:28651 | CHEMBL348881)
Show SMILES Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014636
PNG
(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN[C@H](C)c2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014649
PNG
(6,7-Dimethoxy-2-methyl-3,4-dihydro-isoquinolinium;...)
Show SMILES COc1cc2CC[N+](C)=Cc2cc1OC
Show InChI InChI=1S/C12H16NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-8H,4-5H2,1-3H3/q+1
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6.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50222197
PNG
(CHEBI:15944 | CHEMBL155870)
Show SMILES COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O
Show InChI InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3
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7.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50222196
PNG
(CHEBI:46816 | CHEMBL155707)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3
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7.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50222198
PNG
(CHEBI:28658 | CHEMBL160579)
Show SMILES COc1ccc(C[C@H]2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50222195
PNG
(TETRAHYDROPAPAVERINE | Tetrahydropapaverine)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3
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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50027331
PNG
(1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014664
PNG
(5,6,7,8-Tetramethoxy-1-methyl-3,4-dihydro-isoquino...)
Show SMILES COc1c2CCN=C(C)c2c(OC)c(OC)c1OC
Show InChI InChI=1S/C14H19NO4/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3/h6-7H2,1-5H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014639
PNG
(6-Methoxy-1-methyl-3,4-dihydro-isoquinolin-7-ol | ...)
Show SMILES COc1cc2CCN=C(C)c2cc1O
Show InChI InChI=1S/C11H13NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-6,13H,3-4H2,1-2H3
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1.30E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014638
PNG
(6-Methoxy-2-methyl-3,4-dihydro-isoquinolinium; iod...)
Show SMILES COc1ccc2C=[N+](C)CCc2c1
Show InChI InChI=1S/C11H14NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7-8H,5-6H2,1-2H3/q+1
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1.50E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM13016
PNG
(1,2,3,4-tetrahydroisoquinoline | CHEMBL14346 | THI...)
Show SMILES C1Cc2ccccc2CN1
Show InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
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1.50E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014637
PNG
(5,6,7,8-Tetramethoxy-1-methyl-isoquinoline; hydroc...)
Show SMILES COc1c(OC)c(OC)c2c(C)nccc2c1OC
Show InChI InChI=1S/C14H17NO4/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3/h6-7H,1-5H3
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1.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50027326
PNG
((1R)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroiso...)
Show SMILES Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m1/s1
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014651
PNG
(2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...)
Show SMILES CN1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
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2.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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2.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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2.90E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50222198
PNG
(CHEBI:28658 | CHEMBL160579)
Show SMILES COc1ccc(C[C@H]2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m1/s1
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50027326
PNG
((1R)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroiso...)
Show SMILES Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m1/s1
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222198
PNG
(CHEBI:28658 | CHEMBL160579)
Show SMILES COc1ccc(C[C@H]2NCCc3cc(OC)c(O)cc23)cc1O
Show InChI InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m1/s1
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014640
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol;...)
Show SMILES C[C@H]1NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1
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3.10E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014657
PNG
(6-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES COc1cc2CCNC(C)c2cc1O
Show InChI InChI=1S/C11H15NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
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3.40E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50027326
PNG
((1R)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroiso...)
Show SMILES Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes


J Med Chem 23: 648-52 (1980)


Article DOI: 10.1021/jm00180a013
BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
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