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BDBM50322371 1-(pyridin-2-yl)-4-(6-(4-m-tolylpiperazin-1-yl)hexyl)piperazine::CHEMBL1173018

SMILES: Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccn2)CC1

InChI Key: InChIKey=GXAJAEYMTGMWDK-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 = 50322371   
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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50322371
PNG
(1-(pyridin-2-yl)-4-(6-(4-m-tolylpiperazin-1-yl)hex...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccn2)CC1
Show InChI InChI=1S/C26H39N5/c1-24-9-8-10-25(23-24)30-19-15-28(16-20-30)13-6-2-3-7-14-29-17-21-31(22-18-29)26-11-4-5-12-27-26/h4-5,8-12,23H,2-3,6-7,13-22H2,1H3
KEGG

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50322371
PNG
(1-(pyridin-2-yl)-4-(6-(4-m-tolylpiperazin-1-yl)hex...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccn2)CC1
Show InChI InChI=1S/C26H39N5/c1-24-9-8-10-25(23-24)30-19-15-28(16-20-30)13-6-2-3-7-14-29-17-21-31(22-18-29)26-11-4-5-12-27-26/h4-5,8-12,23H,2-3,6-7,13-22H2,1H3
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PC sid
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10n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50322371
PNG
(1-(pyridin-2-yl)-4-(6-(4-m-tolylpiperazin-1-yl)hex...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccn2)CC1
Show InChI InChI=1S/C26H39N5/c1-24-9-8-10-25(23-24)30-19-15-28(16-20-30)13-6-2-3-7-14-29-17-21-31(22-18-29)26-11-4-5-12-27-26/h4-5,8-12,23H,2-3,6-7,13-22H2,1H3
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44n/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
DOPAMINE


(RAT)
BDBM50322371
PNG
(1-(pyridin-2-yl)-4-(6-(4-m-tolylpiperazin-1-yl)hex...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccn2)CC1
Show InChI InChI=1S/C26H39N5/c1-24-9-8-10-25(23-24)30-19-15-28(16-20-30)13-6-2-3-7-14-29-17-21-31(22-18-29)26-11-4-5-12-27-26/h4-5,8-12,23H,2-3,6-7,13-22H2,1H3
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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))
BDBM50322371
PNG
(1-(pyridin-2-yl)-4-(6-(4-m-tolylpiperazin-1-yl)hex...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccn2)CC1
Show InChI InChI=1S/C26H39N5/c1-24-9-8-10-25(23-24)30-19-15-28(16-20-30)13-6-2-3-7-14-29-17-21-31(22-18-29)26-11-4-5-12-27-26/h4-5,8-12,23H,2-3,6-7,13-22H2,1H3
PDB
MMDB

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8.70E+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