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BDBM50001861 1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-1H-pyrrol-2-ylmethyl}-piperidin-2-one::CHEMBL434512

SMILES: CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1

InChI Key: InChIKey=DYGXCHMXCOSULO-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 = 50001861   
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))
BDBM50001861
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1
Show InChI InChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3
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PC sid
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Article
PubMed
1.60n/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))
BDBM50001861
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1
Show InChI InChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3
Reactome pathway
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PC sid
UniChem

Patents


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Article
PubMed
5.20n/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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001861
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1
Show InChI InChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus


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...)
BDBM50001861
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1
Show InChI InChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
33n/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...)
BDBM50001861
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1
Show InChI InChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
55n/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