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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 = 'BDBM50196235'   
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))
BDBM50196235
PNG
(7-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C21H24N2/c1-23-13-6-10-19-18-9-4-5-11-20(18)22-21(19)15-17-8-3-2-7-16(17)12-14-23/h2-5,7-9,11,22H,6,10,12-15H2,1H3
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Article
PubMed
38n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Activity at human D2L dopamine receptor expressed in HEK293 cells by calcium fluorescence assay


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50196235
PNG
(7-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C21H24N2/c1-23-13-6-10-19-18-9-4-5-11-20(18)22-21(19)15-17-8-3-2-7-16(17)12-14-23/h2-5,7-9,11,22H,6,10,12-15H2,1H3
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Article
PubMed
115n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50196235
PNG
(7-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C21H24N2/c1-23-13-6-10-19-18-9-4-5-11-20(18)22-21(19)15-17-8-3-2-7-16(17)12-14-23/h2-5,7-9,11,22H,6,10,12-15H2,1H3
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Article
PubMed
143n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L dopamine receptor expressed in CHO cells


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair