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Compile Data Set for Download or QSAR

Found 417 hits with Last Name = 'malmberg' 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.160n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.160n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50054342
PNG
(8-{4-[((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1
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0.246n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054342
PNG
(8-{4-[((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1
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0.251n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.440n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by PDSP Ki Database




Mol Pharmacol 43: 749-54 (1993)


BindingDB Entry DOI: 10.7270/Q2K072SP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.660n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-raclopride binding to Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by PDSP Ki Database




Mol Pharmacol 43: 749-54 (1993)


BindingDB Entry DOI: 10.7270/Q2K072SP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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1.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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1.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.74n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054338
PNG
(Butyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C17H26FN/c1-3-5-12-19(11-4-2)15-9-10-16-14(13-15)7-6-8-17(16)18/h6-8,15H,3-5,9-13H2,1-2H3/t15-/m1/s1
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4.42n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054333
PNG
(8-[4-((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2...)
Show SMILES Fc1cccc2C[C@@H](CCc12)NCCCCN1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C23H31FN2O2/c24-20-7-5-6-17-14-18(8-9-19(17)20)25-12-3-4-13-26-21(27)15-23(16-22(26)28)10-1-2-11-23/h5-7,18,25H,1-4,8-16H2/t18-/m1/s1
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4.94n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054342
PNG
(8-{4-[((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1
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4.94n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080053
PNG
(((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-9-10-16-14(13-15)7-6-8-17(16)19-3/h6-8,15H,4-5,9-13H2,1-3H3/t15-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50054333
PNG
(8-[4-((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2...)
Show SMILES Fc1cccc2C[C@@H](CCc12)NCCCCN1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C23H31FN2O2/c24-20-7-5-6-17-14-18(8-9-19(17)20)25-12-3-4-13-26-21(27)15-23(16-22(26)28)10-1-2-11-23/h5-7,18,25H,1-4,8-16H2/t18-/m1/s1
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6.46n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50053670
PNG
(((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C16H24FN/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17/h5-7,14H,3-4,8-12H2,1-2H3/t14-/m1/s1
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8.62n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
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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13.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054342
PNG
(8-{4-[((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1
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17n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-raclopride binding to Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080047
PNG
((4-Methoxy-benzyl)-((R)-5-methoxy-1,2,3,4-tetrahyd...)
Show SMILES CCCN(Cc1ccc(OC)cc1)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C22H29NO2/c1-4-14-23(16-17-8-11-20(24-2)12-9-17)19-10-13-21-18(15-19)6-5-7-22(21)25-3/h5-9,11-12,19H,4,10,13-16H2,1-3H3/t19-/m1/s1
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22n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054337
PNG
(Benzyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen...)
Show SMILES CCCN(Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C20H24FN/c1-2-13-22(15-16-7-4-3-5-8-16)18-11-12-19-17(14-18)9-6-10-20(19)21/h3-10,18H,2,11-15H2,1H3/t18-/m1/s1
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23.8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053670
PNG
(((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C16H24FN/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17/h5-7,14H,3-4,8-12H2,1-2H3/t14-/m1/s1
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26n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053670
PNG
(((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C16H24FN/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17/h5-7,14H,3-4,8-12H2,1-2H3/t14-/m1/s1
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26n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50054337
PNG
(Benzyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen...)
Show SMILES CCCN(Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C20H24FN/c1-2-13-22(15-16-7-4-3-5-8-16)18-11-12-19-17(14-18)9-6-10-20(19)21/h3-10,18H,2,11-15H2,1H3/t18-/m1/s1
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28.8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50053670
PNG
(((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C16H24FN/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17/h5-7,14H,3-4,8-12H2,1-2H3/t14-/m1/s1
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30.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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35n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054336
PNG
(((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C13H18FN/c1-2-8-15-11-6-7-12-10(9-11)4-3-5-13(12)14/h3-5,11,15H,2,6-9H2,1H3/t11-/m1/s1
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35.8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054333
PNG
(8-[4-((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2...)
Show SMILES Fc1cccc2C[C@@H](CCc12)NCCCCN1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C23H31FN2O2/c24-20-7-5-6-17-14-18(8-9-19(17)20)25-12-3-4-13-26-21(27)15-23(16-22(26)28)10-1-2-11-23/h5-7,18,25H,1-4,8-16H2/t18-/m1/s1
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37n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080048
PNG
((4-Fluoro-benzyl)-((R)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES CCCN(Cc1ccc(F)cc1)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C21H26FNO/c1-3-13-23(15-16-7-9-18(22)10-8-16)19-11-12-20-17(14-19)5-4-6-21(20)24-2/h4-10,19H,3,11-15H2,1-2H3/t19-/m1/s1
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43.8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50054338
PNG
(Butyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C17H26FN/c1-3-5-12-19(11-4-2)15-9-10-16-14(13-15)7-6-8-17(16)18/h6-8,15H,3-5,9-13H2,1-2H3/t15-/m1/s1
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44.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080053
PNG
(((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-9-10-16-14(13-15)7-6-8-17(16)19-3/h6-8,15H,4-5,9-13H2,1-3H3/t15-/m1/s1
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46n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054338
PNG
(Butyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C17H26FN/c1-3-5-12-19(11-4-2)15-9-10-16-14(13-15)7-6-8-17(16)18/h6-8,15H,3-5,9-13H2,1-2H3/t15-/m1/s1
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46n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080050
PNG
(((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(Cc1ccc(cc1)[N+]([O-])=O)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C21H26N2O3/c1-3-13-22(15-16-7-9-18(10-8-16)23(24)25)19-11-12-20-17(14-19)5-4-6-21(20)26-2/h4-10,19H,3,11-15H2,1-2H3/t19-/m1/s1
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59n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080047
PNG
((4-Methoxy-benzyl)-((R)-5-methoxy-1,2,3,4-tetrahyd...)
Show SMILES CCCN(Cc1ccc(OC)cc1)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C22H29NO2/c1-4-14-23(16-17-8-11-20(24-2)12-9-17)19-10-13-21-18(15-19)6-5-7-22(21)25-3/h5-9,11-12,19H,4,10,13-16H2,1-3H3/t19-/m1/s1
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64n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080051
PNG
(Benzyl-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(Cc1ccccc1)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C21H27NO/c1-3-14-22(16-17-8-5-4-6-9-17)19-12-13-20-18(15-19)10-7-11-21(20)23-2/h4-11,19H,3,12-16H2,1-2H3/t19-/m1/s1
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65.6n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054333
PNG
(8-[4-((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2...)
Show SMILES Fc1cccc2C[C@@H](CCc12)NCCCCN1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C23H31FN2O2/c24-20-7-5-6-17-14-18(8-9-19(17)20)25-12-3-4-13-26-21(27)15-23(16-22(26)28)10-1-2-11-23/h5-7,18,25H,1-4,8-16H2/t18-/m1/s1
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68n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-raclopride binding to Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080048
PNG
((4-Fluoro-benzyl)-((R)-5-methoxy-1,2,3,4-tetrahydr...)
Show SMILES CCCN(Cc1ccc(F)cc1)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C21H26FNO/c1-3-13-23(15-16-7-9-18(22)10-8-16)19-11-12-20-17(14-19)5-4-6-21(20)24-2/h4-10,19H,3,11-15H2,1-2H3/t19-/m1/s1
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70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080051
PNG
(Benzyl-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(Cc1ccccc1)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C21H27NO/c1-3-14-22(16-17-8-5-4-6-9-17)19-12-13-20-18(15-19)10-7-11-21(20)23-2/h4-11,19H,3,12-16H2,1-2H3/t19-/m1/s1
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75n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080055
PNG
(((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C14H21NO/c1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2/h4-6,12,15H,3,7-10H2,1-2H3/t12-/m1/s1
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82.3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50054336
PNG
(((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C13H18FN/c1-2-8-15-11-6-7-12-10(9-11)4-3-5-13(12)14/h3-5,11,15H,2,6-9H2,1H3/t11-/m1/s1
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108n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080055
PNG
(((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C14H21NO/c1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2/h4-6,12,15H,3,7-10H2,1-2H3/t12-/m1/s1
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114n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080052
PNG
(CHEMBL303502 | Furan-2-ylmethyl-((R)-5-methoxy-1,2...)
Show SMILES CCCN(Cc1ccco1)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C19H25NO2/c1-3-11-20(14-17-7-5-12-22-17)16-9-10-18-15(13-16)6-4-8-19(18)21-2/h4-8,12,16H,3,9-11,13-14H2,1-2H3/t16-/m1/s1
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118n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080052
PNG
(CHEMBL303502 | Furan-2-ylmethyl-((R)-5-methoxy-1,2...)
Show SMILES CCCN(Cc1ccco1)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C19H25NO2/c1-3-11-20(14-17-7-5-12-22-17)16-9-10-18-15(13-16)6-4-8-19(18)21-2/h4-8,12,16H,3,9-11,13-14H2,1-2H3/t16-/m1/s1
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125n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054334
PNG
((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-ylami...)
Show SMILES N[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C10H12FN/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3,8H,4-6,12H2/t8-/m1/s1
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150n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50080049
PNG
(((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(Cc1cccs1)[C@@H]1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C19H25NOS/c1-3-11-20(14-17-7-5-12-22-17)16-9-10-18-15(13-16)6-4-8-19(18)21-2/h4-8,12,16H,3,9-11,13-14H2,1-2H3/t16-/m1/s1
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152n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054341
PNG
(Butyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES CCCCN[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C14H20FN/c1-2-3-9-16-12-7-8-13-11(10-12)5-4-6-14(13)15/h4-6,12,16H,2-3,7-10H2,1H3/t12-/m1/s1
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158n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054336
PNG
(((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C13H18FN/c1-2-8-15-11-6-7-12-10(9-11)4-3-5-13(12)14/h3-5,11,15H,2,6-9H2,1H3/t11-/m1/s1
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167n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054337
PNG
(Benzyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen...)
Show SMILES CCCN(Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C20H24FN/c1-2-13-22(15-16-7-4-3-5-8-16)18-11-12-19-17(14-18)9-6-10-20(19)21/h3-10,18H,2,11-15H2,1H3/t18-/m1/s1
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179n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054337
PNG
(Benzyl-((R)-5-fluoro-1,2,3,4-tetrahydro-naphthalen...)
Show SMILES CCCN(Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C20H24FN/c1-2-13-22(15-16-7-4-3-5-8-16)18-11-12-19-17(14-18)9-6-10-20(19)21/h3-10,18H,2,11-15H2,1H3/t18-/m1/s1
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179n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to human dopamine D2A receptor expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054335
PNG
(((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN(C(C)C)[C@@H]1CCc2c(F)cccc2C1
Show InChI InChI=1S/C16H24FN/c1-4-10-18(12(2)3)14-8-9-15-13(11-14)6-5-7-16(15)17/h5-7,12,14H,4,8-11H2,1-3H3/t14-/m1/s1
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199n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
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