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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50041961'   
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))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
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13n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligand


J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using 2 nM of [3H]-DTG as radioligand, in membranes from brain minus cerebellum


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
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Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured at cloned mammalian dopamine D2 receptor expressed in CHO-K1 cells (using [3H]-U-86,170)


Bioorg Med Chem Lett 4: 689-694 (1994)


Article DOI: 10.1016/S0960-894X(01)80181-5
BindingDB Entry DOI: 10.7270/Q2SX6D5J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of [3H]-raclopride binding to Dopamine receptor D2 in rat striatum


Bioorg Med Chem Lett 7: 2759-2764 (1997)


Article DOI: 10.1016/S0960-894X(97)10068-3
BindingDB Entry DOI: 10.7270/Q2F47P56
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Evaluated for binding towards Dopamine receptor D2 using [3H]-spiperone as radioligand, in cloned mammalian receptors expressed in CHO-K1 cells


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
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22n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride as radioligand


J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against human Dopamine receptor D2 in mouse LtK- cells using [3H]spiperone.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ34VM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
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70n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding towards Dopamine receptor D3 expressed in CHO-K1 cells using [3H]spiperone


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Evaluated for binding towards Dopamine receptor D2 using [3H]-N-0437 as radioligand from rat striatal membrane


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair