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1 similar compounds to monomer 50342704

Compile data set for download or QSAR
Wt: 489.6
BDBM50342705

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50342705   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50342705
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCCc3cc(ccc3C2=O)-c2cccs2)CC1
Show InChI InChI=1S/C29H35N3O2S/c1-34-27-10-3-2-9-26(27)31-19-17-30(18-20-31)14-4-5-15-32-16-6-8-23-22-24(28-11-7-21-35-28)12-13-25(23)29(32)33/h2-3,7,9-13,21-22H,4-6,8,14-20H2,1H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
0.290n/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))
BDBM50342705
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCCc3cc(ccc3C2=O)-c2cccs2)CC1
Show InChI InChI=1S/C29H35N3O2S/c1-34-27-10-3-2-9-26(27)31-19-17-30(18-20-31)14-4-5-15-32-16-6-8-23-22-24(28-11-7-21-35-28)12-13-25(23)29(32)33/h2-3,7,9-13,21-22H,4-6,8,14-20H2,1H3
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PC sid
UniChem

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Article
PubMed
2.10n/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))
BDBM50342705
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCCc3cc(ccc3C2=O)-c2cccs2)CC1
Show InChI InChI=1S/C29H35N3O2S/c1-34-27-10-3-2-9-26(27)31-19-17-30(18-20-31)14-4-5-15-32-16-6-8-23-22-24(28-11-7-21-35-28)12-13-25(23)29(32)33/h2-3,7,9-13,21-22H,4-6,8,14-20H2,1H3
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UniChem

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Article
PubMed
5.10n/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-HT2


(PIG)
BDBM50342705
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCCc3cc(ccc3C2=O)-c2cccs2)CC1
Show InChI InChI=1S/C29H35N3O2S/c1-34-27-10-3-2-9-26(27)31-19-17-30(18-20-31)14-4-5-15-32-16-6-8-23-22-24(28-11-7-21-35-28)12-13-25(23)29(32)33/h2-3,7,9-13,21-22H,4-6,8,14-20H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
530n/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
Dopamine D1 receptor


(Sus scrofa)
BDBM50342705
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCCc3cc(ccc3C2=O)-c2cccs2)CC1
Show InChI InChI=1S/C29H35N3O2S/c1-34-27-10-3-2-9-26(27)31-19-17-30(18-20-31)14-4-5-15-32-16-6-8-23-22-24(28-11-7-21-35-28)12-13-25(23)29(32)33/h2-3,7,9-13,21-22H,4-6,8,14-20H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
920n/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