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Compile Data Set for Download or QSAR

Found 24 hits of ki for monomerid = 50105731   
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))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity (high) towards human dopamine receptor 3 against radioligand [3H]spiperone, expressed in Chinese hamster ovary cells


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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6n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-spiperone from bovine cloned Dopamine receptor D2 stably expressed in CHO cells.


Bioorg Med Chem Lett 11: 2863-6 (2001)


BindingDB Entry DOI: 10.7270/Q2D799Q9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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6n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-spiperone from human cloned Dopamine receptor D3 stably expressed in CHO cells.


Bioorg Med Chem Lett 11: 2863-6 (2001)


BindingDB Entry DOI: 10.7270/Q2D799Q9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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21n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-Pramipexole from high affinity binding sites of bovine cloned D2 receptors stably expressed in CHO cells.


Bioorg Med Chem Lett 11: 2863-6 (2001)


BindingDB Entry DOI: 10.7270/Q2D799Q9
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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32n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D4.4 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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32n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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41n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D2S expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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41n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (short) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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52n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
High binding affinity towards human dopamine receptor 2 (long) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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52n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
High inhibition constant against [3H]-spiperone binding to human Dopamine receptor D2L expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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90n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-spiperone from bovine cloned Dopamine receptor D2 stably expressed in CHO cells.


Bioorg Med Chem Lett 11: 2863-6 (2001)


BindingDB Entry DOI: 10.7270/Q2D799Q9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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90n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-spiperone from bovine cloned Dopamine receptor D2 stably expressed in CHO cells.


Bioorg Med Chem Lett 11: 2863-6 (2001)


BindingDB Entry DOI: 10.7270/Q2D799Q9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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150n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Low inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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150n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Low binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Low inhibition constant against [3H]-spiperone binding to human Dopamine receptor D4.4 expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity (low) towards human dopamine receptor 2 short against radioligand [3H]spiperone, expressed in Chinese hamster ovary cells


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Low inhibition constant against [3H]-spiperone binding to human Dopamine receptor D2S expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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6.90E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Low inhibition constant against [3H]-spiperone binding to human Dopamine receptor D2L expressed in CHO cells


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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6.90E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity (low) towards human dopamine receptor 2 long against radioligand [3H]spiperone, expressed in Chinese hamster ovary cells


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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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 (low) towards bovine dopamine receptor 1 by using [3H]-SCH- 23390 (0.3 nM) as radioligand


J Med Chem 48: 5771-9 (2005)


Article DOI: 10.1021/jm0503805
BindingDB Entry DOI: 10.7270/Q2KW5GT9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-SCH-23,390 binding to Dopamine receptor D1 in bovine striatal membranes


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50105731
PNG
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-...)
Show SMILES CCCN(CCC)[C@H]1CCn2c(C1)ccc2C=O
Show InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m0/s1
PDB

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2.60E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-23,390 from bovine cloned Dopamine receptor D1 stably expressed in CHO cells.


Bioorg Med Chem Lett 11: 2863-6 (2001)


BindingDB Entry DOI: 10.7270/Q2D799Q9
More data for this
Ligand-Target Pair