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BDBM50053734 3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2,5,5-tetramethyl-thiazolidin-4-one::CHEMBL130906

SMILES: COc1ccccc1N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1

InChI Key: InChIKey=NCRXJBDPIYXLQR-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50053734   
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 1A


(Rattus norvegicus (rat))
BDBM50053734
PNG
(3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1
Show InChI InChI=1S/C22H35N3O2S/c1-21(2)20(26)25(22(3,4)28-21)13-9-8-12-23-14-16-24(17-15-23)18-10-6-7-11-19(18)27-5/h6-7,10-11H,8-9,12-17H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand


J Med Chem 39: 4044-57 (1996)


Article DOI: 10.1021/jm960268u
BindingDB Entry DOI: 10.7270/Q2ST7QH3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50053734
PNG
(3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1
Show InChI InChI=1S/C22H35N3O2S/c1-21(2)20(26)25(22(3,4)28-21)13-9-8-12-23-14-16-24(17-15-23)18-10-6-7-11-19(18)27-5/h6-7,10-11H,8-9,12-17H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 304n/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 was determined in rat striatal homogenate using [3H]- spiperone as radioligand


J Med Chem 39: 4044-57 (1996)


Article DOI: 10.1021/jm960268u
BindingDB Entry DOI: 10.7270/Q2ST7QH3
More data for this
Ligand-Target Pair