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BDBM50001882 1-[1-Methyl-5-(4-o-tolyl-piperazin-1-ylmethyl)-1H-pyrrol-2-ylmethyl]-pyrrolidin-2-one::CHEMBL151966

SMILES: Cc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1

InChI Key: InChIKey=IHWWUTUWDXAPEO-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50001882   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001882
PNG
(1-[1-Methyl-5-(4-o-tolyl-piperazin-1-ylmethyl)-1H-...)
Show SMILES Cc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1
Show InChI InChI=1S/C22H30N4O/c1-18-6-3-4-7-21(18)25-14-12-24(13-15-25)16-19-9-10-20(23(19)2)17-26-11-5-8-22(26)27/h3-4,6-7,9-10H,5,8,11-17H2,1-2H3
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
136n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001882
PNG
(1-[1-Methyl-5-(4-o-tolyl-piperazin-1-ylmethyl)-1H-...)
Show SMILES Cc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1
Show InChI InChI=1S/C22H30N4O/c1-18-6-3-4-7-21(18)25-14-12-24(13-15-25)16-19-9-10-20(23(19)2)17-26-11-5-8-22(26)27/h3-4,6-7,9-10H,5,8,11-17H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
167n/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
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001882
PNG
(1-[1-Methyl-5-(4-o-tolyl-piperazin-1-ylmethyl)-1H-...)
Show SMILES Cc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1
Show InChI InChI=1S/C22H30N4O/c1-18-6-3-4-7-21(18)25-14-12-24(13-15-25)16-19-9-10-20(23(19)2)17-26-11-5-8-22(26)27/h3-4,6-7,9-10H,5,8,11-17H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/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