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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50087033'   
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


(Rattus norvegicus (rat))
BDBM50087033
PNG
((1R,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...)
Show SMILES CO[C@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20-/m1/s1
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Article
PubMed
7n/an/an/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


(Homo sapiens (Human))
BDBM50087033
PNG
((1R,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...)
Show SMILES CO[C@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20-/m1/s1
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7.10n/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 43: 1339-49 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50087033
PNG
((1R,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...)
Show SMILES CO[C@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20-/m1/s1
PDB

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Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair