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BDBM50007179 4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide::CHEMBL27254

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1

InChI Key: InChIKey=PZTFOAIQGVVNAX-UHFFFAOYSA-N

Data: 4 KI  1 EC50

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 = 50007179   
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))
BDBM50007179
PNG
(4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1
Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007179
PNG
(4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1
Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
KEGG

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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...


J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007179
PNG
(4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1
Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
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15n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007179
PNG
(4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1
Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
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KEGG

UniProtKB/SwissProt

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146n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007179
PNG
(4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1
Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
UniProtKB/SwissProt

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n/an/an/an/a 1.20n/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Effective concentration of the compound for Dopamine receptor D3 was determined


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair