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Compile Data Set for Download or QSAR

Found 27 hits of ki for monomerid = 50085331   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioliga...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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57n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on high Affinity Site of Bovine Dopamine D2 Receptor. Tested for ability to displace the radioligand [3H]-Spiperone


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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170n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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190n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human wild type D3 receptor expressed in human HEK293 cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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250n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity on High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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270n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity on High Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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350n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Human Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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380n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on low Affinity Site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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590n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on low Affinity Site of Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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720n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D3


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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750n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]spiperone at the ...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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2.80E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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2.90E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Dissociation constant of compound on one-site model Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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4.10E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on low Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]spiperone at the ...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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1.20E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity of Compound of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
PDB

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1.40E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on low Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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1.70E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was determined for decoupling of the ternary complex of Compound to Bovine dopamine receptor D1. Tested for ability to displace the ...


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
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1.70E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
PDB

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1.90E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50085331
PNG
((4-Ethynyl-cyclohex-3-enyl)-dipropyl-amine | 4-eth...)
Show SMILES CCCN(CCC)C1CCC(=CC1)C#C |c:10|
Show InChI InChI=1S/C14H23N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7,14H,4-5,8-12H2,1-2H3
PDB

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UniProtKB/SwissProt

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>2.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on High Affinity Site of Bovine dopamine receptor D1. Tested for ability to displace the radioligand [3H]-SCH- 23390


J Med Chem 43: 756-62 (2000)


BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair