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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50342715   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50342715
PNG
(3,4-Dihydro-6-(2-furyl)-2-[4-(4-(2-methoxyphenyl)p...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2ccco2)CC1
Show InChI InChI=1S/C28H33N3O3/c1-33-27-8-3-2-7-25(27)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(26-9-6-20-34-26)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3
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0.210n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50342715
PNG
(3,4-Dihydro-6-(2-furyl)-2-[4-(4-(2-methoxyphenyl)p...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2ccco2)CC1
Show InChI InChI=1S/C28H33N3O3/c1-33-27-8-3-2-7-25(27)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(26-9-6-20-34-26)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3
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4.80n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50342715
PNG
(3,4-Dihydro-6-(2-furyl)-2-[4-(4-(2-methoxyphenyl)p...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2ccco2)CC1
Show InChI InChI=1S/C28H33N3O3/c1-33-27-8-3-2-7-25(27)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(26-9-6-20-34-26)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3
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16n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM50342715
PNG
(3,4-Dihydro-6-(2-furyl)-2-[4-(4-(2-methoxyphenyl)p...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2ccco2)CC1
Show InChI InChI=1S/C28H33N3O3/c1-33-27-8-3-2-7-25(27)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(26-9-6-20-34-26)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3
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330n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from pig 5-HT2 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Sus scrofa)
BDBM50342715
PNG
(3,4-Dihydro-6-(2-furyl)-2-[4-(4-(2-methoxyphenyl)p...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2ccco2)CC1
Show InChI InChI=1S/C28H33N3O3/c1-33-27-8-3-2-7-25(27)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(26-9-6-20-34-26)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3
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580n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in pig striatal membranes


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair