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BDBM50342707 2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-6-carbonitrile::CHEMBL1771113

SMILES: COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#N)CC1

InChI Key: InChIKey=UAORLSRHSCKPEH-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50342707   
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))
BDBM50342707
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-1-o...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-23(24)28-16-14-27(15-17-28)11-4-5-12-29-13-10-21-18-20(19-26)8-9-22(21)25(29)30/h2-3,6-9,18H,4-5,10-17H2,1H3
UniProtKB/SwissProt

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PC sid
UniChem
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1.30n/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))
BDBM50342707
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-1-o...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-23(24)28-16-14-27(15-17-28)11-4-5-12-29-13-10-21-18-20(19-26)8-9-22(21)25(29)30/h2-3,6-9,18H,4-5,10-17H2,1H3
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22n/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))
BDBM50342707
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-1-o...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-23(24)28-16-14-27(15-17-28)11-4-5-12-29-13-10-21-18-20(19-26)8-9-22(21)25(29)30/h2-3,6-9,18H,4-5,10-17H2,1H3
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38n/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)
BDBM50342707
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-1-o...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-23(24)28-16-14-27(15-17-28)11-4-5-12-29-13-10-21-18-20(19-26)8-9-22(21)25(29)30/h2-3,6-9,18H,4-5,10-17H2,1H3
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430n/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)
BDBM50342707
PNG
(2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-1-o...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-23(24)28-16-14-27(15-17-28)11-4-5-12-29-13-10-21-18-20(19-26)8-9-22(21)25(29)30/h2-3,6-9,18H,4-5,10-17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.20E+3n/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