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BDBM50001857 1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-azepan-2-one::CHEMBL152363

SMILES: COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1

InChI Key: InChIKey=JZPBMEODQISYNB-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50001857   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001857
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-25-20(11-12-21(25)19-28-13-7-3-4-10-24(28)29)18-26-14-16-27(17-15-26)22-8-5-6-9-23(22)30-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3
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CHEMBL
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PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001857
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-25-20(11-12-21(25)19-28-13-7-3-4-10-24(28)29)18-26-14-16-27(17-15-26)22-8-5-6-9-23(22)30-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
44n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001857
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-25-20(11-12-21(25)19-28-13-7-3-4-10-24(28)29)18-26-14-16-27(17-15-26)22-8-5-6-9-23(22)30-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 receptor by displacing [3H]5-HT radioligand in rat cerebral cortex


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001857
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-25-20(11-12-21(25)19-28-13-7-3-4-10-24(28)29)18-26-14-16-27(17-15-26)22-8-5-6-9-23(22)30-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
669n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cort...


J Med Chem 35: 552-8 (1992)


Article DOI: 10.1021/jm00081a018
BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair