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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50016013'   
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))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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Article
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58.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned Dopamine receptor D2A by [3H]-raclopride displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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58.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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58.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-raclopride binding to cloned human Dopamine receptor D2A


J Med Chem 38: 647-58 (1995)


BindingDB Entry DOI: 10.7270/Q2HX1BQH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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208n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1319-28 (2010)


Article DOI: 10.1021/jm9015763
BindingDB Entry DOI: 10.7270/Q2T154KK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Dopamine receptor D2 by [3H]-spiperone displacement.


J Med Chem 33: 600-7 (1990)


BindingDB Entry DOI: 10.7270/Q2XS5TCP
More data for this
Ligand-Target Pair