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BDBM50322370 4-(4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazin-1-yl)quinoline::CHEMBL1173017

SMILES: C(CCCN1CCN(CC1)c1ccnc2ccccc12)CCN1CCN(CC1)c1ccccc1

InChI Key: InChIKey=AEQHEVDDTLOOMD-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 = 50322370   
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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50322370
PNG
(4-(4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazin-1-...)
Show SMILES C(CCCN1CCN(CC1)c1ccnc2ccccc12)CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C29H39N5/c1(8-16-31-18-22-33(23-19-31)26-10-4-3-5-11-26)2-9-17-32-20-24-34(25-21-32)29-14-15-30-28-13-7-6-12-27(28)29/h3-7,10-15H,1-2,8-9,16-25H2
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Article
PubMed
34n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50322370
PNG
(4-(4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazin-1-...)
Show SMILES C(CCCN1CCN(CC1)c1ccnc2ccccc12)CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C29H39N5/c1(8-16-31-18-22-33(23-19-31)26-10-4-3-5-11-26)2-9-17-32-20-24-34(25-21-32)29-14-15-30-28-13-7-6-12-27(28)29/h3-7,10-15H,1-2,8-9,16-25H2
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41n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50322370
PNG
(4-(4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazin-1-...)
Show SMILES C(CCCN1CCN(CC1)c1ccnc2ccccc12)CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C29H39N5/c1(8-16-31-18-22-33(23-19-31)26-10-4-3-5-11-26)2-9-17-32-20-24-34(25-21-32)29-14-15-30-28-13-7-6-12-27(28)29/h3-7,10-15H,1-2,8-9,16-25H2
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49n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat CRL:CD(SD)BR-COBS hippocampus by scintillation spectrometry


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50322370
PNG
(4-(4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazin-1-...)
Show SMILES C(CCCN1CCN(CC1)c1ccnc2ccccc12)CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C29H39N5/c1(8-16-31-18-22-33(23-19-31)26-10-4-3-5-11-26)2-9-17-32-20-24-34(25-21-32)29-14-15-30-28-13-7-6-12-27(28)29/h3-7,10-15H,1-2,8-9,16-25H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50322370
PNG
(4-(4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazin-1-...)
Show SMILES C(CCCN1CCN(CC1)c1ccnc2ccccc12)CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C29H39N5/c1(8-16-31-18-22-33(23-19-31)26-10-4-3-5-11-26)2-9-17-32-20-24-34(25-21-32)29-14-15-30-28-13-7-6-12-27(28)29/h3-7,10-15H,1-2,8-9,16-25H2
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PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair