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BDBM50017459 1-(2-Butyl-phenyl)-piperazine::CHEMBL9921

SMILES: CCCCc1ccccc1N1CCNCC1

InChI Key: InChIKey=XJZVCNGBKRTGFO-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50017459   
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
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50017459
PNG
(1-(2-Butyl-phenyl)-piperazine | CHEMBL9921)
Show SMILES CCCCc1ccccc1N1CCNCC1
Show InChI InChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3
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Article
PubMed
8.40n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 1B receptor by [3H]-5-HT displacement.


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50017459
PNG
(1-(2-Butyl-phenyl)-piperazine | CHEMBL9921)
Show SMILES CCCCc1ccccc1N1CCNCC1
Show InChI InChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3
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PubMed
19n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 1A receptor by [3H]-WB-4101 displacement.


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50017459
PNG
(1-(2-Butyl-phenyl)-piperazine | CHEMBL9921)
Show SMILES CCCCc1ccccc1N1CCNCC1
Show InChI InChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3
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PubMed
32n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity against rat Alpha-1 adrenergic receptor.


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50017459
PNG
(1-(2-Butyl-phenyl)-piperazine | CHEMBL9921)
Show SMILES CCCCc1ccccc1N1CCNCC1
Show InChI InChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3
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Article
PubMed
65n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50017459
PNG
(1-(2-Butyl-phenyl)-piperazine | CHEMBL9921)
Show SMILES CCCCc1ccccc1N1CCNCC1
Show InChI InChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3
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Article
PubMed
204n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity at rat 5-hydroxytryptamine 2 receptor by [3H]ketanserin displacement.


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50017459
PNG
(1-(2-Butyl-phenyl)-piperazine | CHEMBL9921)
Show SMILES CCCCc1ccccc1N1CCNCC1
Show InChI InChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3
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Article
PubMed
841n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity against rat Dopamine receptor D2.


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50017459
PNG
(1-(2-Butyl-phenyl)-piperazine | CHEMBL9921)
Show SMILES CCCCc1ccccc1N1CCNCC1
Show InChI InChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity at rat Dopamine receptor D1 by [3H]-SCH-23,390 displacement.


J Med Chem 32: 1052-6 (1989)


Article DOI: 10.1021/jm00125a020
BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair