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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50015077   
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(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50151041
PNG
(12-Methyl-9-oxa-12-aza-tricyclo[13.4.0.0*3,8*]nona...)
Show SMILES CN1CCOc2cc(O)ccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21NO2/c1-19-9-8-14-4-2-3-5-15(14)12-16-6-7-17(20)13-18(16)21-11-10-19/h2-7,13,20H,8-12H2,1H3
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0.570n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D5


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50151049
PNG
(6-Methoxy-12-methyl-9-oxa-12-aza-tricyclo[13.4.0.0...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCOc2c1
Show InChI InChI=1S/C19H23NO2/c1-20-10-9-15-5-3-4-6-16(15)13-17-7-8-18(21-2)14-19(17)22-12-11-20/h3-8,14H,9-13H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D5


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
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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2.20n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine D2 receptor


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151041
PNG
(12-Methyl-9-oxa-12-aza-tricyclo[13.4.0.0*3,8*]nona...)
Show SMILES CN1CCOc2cc(O)ccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21NO2/c1-19-9-8-14-4-2-3-5-15(14)12-16-6-7-17(20)13-18(16)21-11-10-19/h2-7,13,20H,8-12H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(4) 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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7.30n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D4.2


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
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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7.80n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151048
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine | CHEMBL...)
Show SMILES C(CN1CCCCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C20H25NO/c1-3-9-18(10-4-1)17-19-11-5-6-12-20(19)22-16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2
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33.7n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151049
PNG
(6-Methoxy-12-methyl-9-oxa-12-aza-tricyclo[13.4.0.0...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCOc2c1
Show InChI InChI=1S/C19H23NO2/c1-20-10-9-15-5-3-4-6-16(15)13-17-7-8-18(21-2)14-19(17)22-12-11-20/h3-8,14H,9-13H2,1-2H3
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35.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50151048
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine | CHEMBL...)
Show SMILES C(CN1CCCCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C20H25NO/c1-3-9-18(10-4-1)17-19-11-5-6-12-20(19)22-16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2
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43n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D5


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1B) 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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58n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D5


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) 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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82n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50151040
PNG
(1-[3-(2-Benzyl-phenoxy)-propyl]-pyrrolidine | CHEM...)
Show SMILES C(COc1ccccc1Cc1ccccc1)CN1CCCC1
Show InChI InChI=1S/C20H25NO/c1-2-9-18(10-3-1)17-19-11-4-5-12-20(19)22-16-8-15-21-13-6-7-14-21/h1-5,9-12H,6-8,13-17H2
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113n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D5


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151040
PNG
(1-[3-(2-Benzyl-phenoxy)-propyl]-pyrrolidine | CHEM...)
Show SMILES C(COc1ccccc1Cc1ccccc1)CN1CCCC1
Show InChI InChI=1S/C20H25NO/c1-2-9-18(10-3-1)17-19-11-4-5-12-20(19)22-16-8-15-21-13-6-7-14-21/h1-5,9-12H,6-8,13-17H2
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113n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151049
PNG
(6-Methoxy-12-methyl-9-oxa-12-aza-tricyclo[13.4.0.0...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCOc2c1
Show InChI InChI=1S/C19H23NO2/c1-20-10-9-15-5-3-4-6-16(15)13-17-7-8-18(21-2)14-19(17)22-12-11-20/h3-8,14H,9-13H2,1-2H3
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158n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D2L


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151042
PNG
(4-[2-(2-Benzyl-phenoxy)-ethyl]-morpholine | CHEMBL...)
Show SMILES C(CN1CCOCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-2-6-17(7-3-1)16-18-8-4-5-9-19(18)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2
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201n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151041
PNG
(12-Methyl-9-oxa-12-aza-tricyclo[13.4.0.0*3,8*]nona...)
Show SMILES CN1CCOc2cc(O)ccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21NO2/c1-19-9-8-14-4-2-3-5-15(14)12-16-6-7-17(20)13-18(16)21-11-10-19/h2-7,13,20H,8-12H2,1H3
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274n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D2L


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151046
PNG
(CHEMBL186720 | Phenyltoloxamine | [2-(2-Benzyl-phe...)
Show SMILES CN(C)CCOc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
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343n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50151042
PNG
(4-[2-(2-Benzyl-phenoxy)-ethyl]-morpholine | CHEMBL...)
Show SMILES C(CN1CCOCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-2-6-17(7-3-1)16-18-8-4-5-9-19(18)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2
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366n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D5


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50151041
PNG
(12-Methyl-9-oxa-12-aza-tricyclo[13.4.0.0*3,8*]nona...)
Show SMILES CN1CCOc2cc(O)ccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21NO2/c1-19-9-8-14-4-2-3-5-15(14)12-16-6-7-17(20)13-18(16)21-11-10-19/h2-7,13,20H,8-12H2,1H3
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375n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D4.4


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151045
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-pyrrolidine | CHEMB...)
Show SMILES C(CN1CCCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H23NO/c1-2-8-17(9-3-1)16-18-10-4-5-11-19(18)21-15-14-20-12-6-7-13-20/h1-5,8-11H,6-7,12-16H2
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379n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50151046
PNG
(CHEMBL186720 | Phenyltoloxamine | [2-(2-Benzyl-phe...)
Show SMILES CN(C)CCOc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
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414n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D5


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50151049
PNG
(6-Methoxy-12-methyl-9-oxa-12-aza-tricyclo[13.4.0.0...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCOc2c1
Show InChI InChI=1S/C19H23NO2/c1-20-10-9-15-5-3-4-6-16(15)13-17-7-8-18(21-2)14-19(17)22-12-11-20/h3-8,14H,9-13H2,1-2H3
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546n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D4.4


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50151043
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-4-phenyl-piperazine...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C25H28N2O/c1-3-9-22(10-4-1)21-23-11-7-8-14-25(23)28-20-19-26-15-17-27(18-16-26)24-12-5-2-6-13-24/h1-14H,15-21H2
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620n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D5


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50151045
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-pyrrolidine | CHEMB...)
Show SMILES C(CN1CCCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H23NO/c1-2-8-17(9-3-1)16-18-10-4-5-11-19(18)21-15-14-20-12-6-7-13-20/h1-5,8-11H,6-7,12-16H2
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951n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D5


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151040
PNG
(1-[3-(2-Benzyl-phenoxy)-propyl]-pyrrolidine | CHEM...)
Show SMILES C(COc1ccccc1Cc1ccccc1)CN1CCCC1
Show InChI InChI=1S/C20H25NO/c1-2-9-18(10-3-1)17-19-11-4-5-12-20(19)22-16-8-15-21-13-6-7-14-21/h1-5,9-12H,6-8,13-17H2
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1.01E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D2L


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151048
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine | CHEMBL...)
Show SMILES C(CN1CCCCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C20H25NO/c1-3-9-18(10-4-1)17-19-11-5-6-12-20(19)22-16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2
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1.02E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D2L


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50151040
PNG
(1-[3-(2-Benzyl-phenoxy)-propyl]-pyrrolidine | CHEM...)
Show SMILES C(COc1ccccc1Cc1ccccc1)CN1CCCC1
Show InChI InChI=1S/C20H25NO/c1-2-9-18(10-3-1)17-19-11-4-5-12-20(19)22-16-8-15-21-13-6-7-14-21/h1-5,9-12H,6-8,13-17H2
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1.26E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D4.4


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50151041
PNG
(12-Methyl-9-oxa-12-aza-tricyclo[13.4.0.0*3,8*]nona...)
Show SMILES CN1CCOc2cc(O)ccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21NO2/c1-19-9-8-14-4-2-3-5-15(14)12-16-6-7-17(20)13-18(16)21-11-10-19/h2-7,13,20H,8-12H2,1H3
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1.38E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50151045
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-pyrrolidine | CHEMB...)
Show SMILES C(CN1CCCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H23NO/c1-2-8-17(9-3-1)16-18-10-4-5-11-19(18)21-15-14-20-12-6-7-13-20/h1-5,8-11H,6-7,12-16H2
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1.43E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D4.4


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151043
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-4-phenyl-piperazine...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C25H28N2O/c1-3-9-22(10-4-1)21-23-11-7-8-14-25(23)28-20-19-26-15-17-27(18-16-26)24-12-5-2-6-13-24/h1-14H,15-21H2
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1.48E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50151049
PNG
(6-Methoxy-12-methyl-9-oxa-12-aza-tricyclo[13.4.0.0...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCOc2c1
Show InChI InChI=1S/C19H23NO2/c1-20-10-9-15-5-3-4-6-16(15)13-17-7-8-18(21-2)14-19(17)22-12-11-20/h3-8,14H,9-13H2,1-2H3
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1.60E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151044
PNG
(CHEMBL364586 | Phenyl-[2-(2-pyrrolidin-1-yl-ethoxy...)
Show SMILES O=C(c1ccccc1)c1ccccc1OCCN1CCCC1
Show InChI InChI=1S/C19H21NO2/c21-19(16-8-2-1-3-9-16)17-10-4-5-11-18(17)22-15-14-20-12-6-7-13-20/h1-5,8-11H,6-7,12-15H2
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1.65E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151050
PNG
(4-[2-(2-Benzyl-phenoxy)-ethyl]-2-methyl-morpholine...)
Show SMILES CC1CN(CCOc2ccccc2Cc2ccccc2)CCO1
Show InChI InChI=1S/C20H25NO2/c1-17-16-21(11-13-22-17)12-14-23-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
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1.68E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50151045
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-pyrrolidine | CHEMB...)
Show SMILES C(CN1CCCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H23NO/c1-2-8-17(9-3-1)16-18-10-4-5-11-19(18)21-15-14-20-12-6-7-13-20/h1-5,8-11H,6-7,12-16H2
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1.82E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151052
PNG
(CHEMBL366265 | Etoloxamine | [2-(2-Benzyl-phenoxy)...)
Show SMILES CCN(CC)CCOc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-13-9-8-12-18(19)16-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3
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1.96E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151052
PNG
(CHEMBL366265 | Etoloxamine | [2-(2-Benzyl-phenoxy)...)
Show SMILES CCN(CC)CCOc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-13-9-8-12-18(19)16-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3
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2.02E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D2L


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50151044
PNG
(CHEMBL364586 | Phenyl-[2-(2-pyrrolidin-1-yl-ethoxy...)
Show SMILES O=C(c1ccccc1)c1ccccc1OCCN1CCCC1
Show InChI InChI=1S/C19H21NO2/c21-19(16-8-2-1-3-9-16)17-10-4-5-11-18(17)22-15-14-20-12-6-7-13-20/h1-5,8-11H,6-7,12-15H2
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2.41E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50151047
PNG
(CHEMBL185875 | Phenyl-[2-(2-pyrrolidin-1-yl-ethoxy...)
Show SMILES OC(c1ccccc1)c1ccccc1OCCN1CCCC1
Show InChI InChI=1S/C19H23NO2/c21-19(16-8-2-1-3-9-16)17-10-4-5-11-18(17)22-15-14-20-12-6-7-13-20/h1-5,8-11,19,21H,6-7,12-15H2
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2.62E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D1


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151046
PNG
(CHEMBL186720 | Phenyltoloxamine | [2-(2-Benzyl-phe...)
Show SMILES CN(C)CCOc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
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2.74E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D2L


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50151046
PNG
(CHEMBL186720 | Phenyltoloxamine | [2-(2-Benzyl-phe...)
Show SMILES CN(C)CCOc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
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2.77E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D4.4


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50151043
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-4-phenyl-piperazine...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C25H28N2O/c1-3-9-22(10-4-1)21-23-11-7-8-14-25(23)28-20-19-26-15-17-27(18-16-26)24-12-5-2-6-13-24/h1-14H,15-21H2
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2.86E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50151040
PNG
(1-[3-(2-Benzyl-phenoxy)-propyl]-pyrrolidine | CHEM...)
Show SMILES C(COc1ccccc1Cc1ccccc1)CN1CCCC1
Show InChI InChI=1S/C20H25NO/c1-2-9-18(10-3-1)17-19-11-4-5-12-20(19)22-16-8-15-21-13-6-7-14-21/h1-5,9-12H,6-8,13-17H2
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2.92E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151043
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-4-phenyl-piperazine...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C25H28N2O/c1-3-9-22(10-4-1)21-23-11-7-8-14-25(23)28-20-19-26-15-17-27(18-16-26)24-12-5-2-6-13-24/h1-14H,15-21H2
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4.19E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D2L


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50151048
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine | CHEMBL...)
Show SMILES C(CN1CCCCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C20H25NO/c1-3-9-18(10-4-1)17-19-11-5-6-12-20(19)22-16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2
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4.48E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D4.4


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50151051
PNG
((2-Benzyl-phenyl)-(2-pyrrolidin-1-yl-ethyl)-amine ...)
Show SMILES C(CN1CCCC1)Nc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H24N2/c1-2-8-17(9-3-1)16-18-10-4-5-11-19(18)20-12-15-21-13-6-7-14-21/h1-5,8-11,20H,6-7,12-16H2
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4.65E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50151052
PNG
(CHEMBL366265 | Etoloxamine | [2-(2-Benzyl-phenoxy)...)
Show SMILES CCN(CC)CCOc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-13-9-8-12-18(19)16-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3
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4.67E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151044
PNG
(CHEMBL364586 | Phenyl-[2-(2-pyrrolidin-1-yl-ethoxy...)
Show SMILES O=C(c1ccccc1)c1ccccc1OCCN1CCCC1
Show InChI InChI=1S/C19H21NO2/c21-19(16-8-2-1-3-9-16)17-10-4-5-11-18(17)22-15-14-20-12-6-7-13-20/h1-5,8-11H,6-7,12-15H2
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5.32E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D2L


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151047
PNG
(CHEMBL185875 | Phenyl-[2-(2-pyrrolidin-1-yl-ethoxy...)
Show SMILES OC(c1ccccc1)c1ccccc1OCCN1CCCC1
Show InChI InChI=1S/C19H23NO2/c21-19(16-8-2-1-3-9-16)17-10-4-5-11-18(17)22-15-14-20-12-6-7-13-20/h1-5,8-11,19,21H,6-7,12-15H2
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6.28E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D2L


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50151042
PNG
(4-[2-(2-Benzyl-phenoxy)-ethyl]-morpholine | CHEMBL...)
Show SMILES C(CN1CCOCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-2-6-17(7-3-1)16-18-8-4-5-9-19(18)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2
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6.48E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D4.4


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50151048
PNG
(1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine | CHEMBL...)
Show SMILES C(CN1CCCCC1)Oc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C20H25NO/c1-3-9-18(10-4-1)17-19-11-5-6-12-20(19)22-16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2
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7.80E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant dopamine receptor D3


J Med Chem 47: 4155-8 (2004)


Article DOI: 10.1021/jm049720x
BindingDB Entry DOI: 10.7270/Q2WQ0379
More data for this
Ligand-Target Pair
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