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BDBM50119932 3-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-3H-benzothiazol-2-one::CHEMBL108157

SMILES: Clc1ccc(CN2CCN(CCn3c4ccccc4sc3=O)CC2)cc1

InChI Key: InChIKey=ITCMJTMRLFGAKW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50119932   
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 receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119932
PNG
(3-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-3...)
Show SMILES Clc1ccc(CN2CCN(CCn3c4ccccc4sc3=O)CC2)cc1
Show InChI InChI=1S/C20H22ClN3OS/c21-17-7-5-16(6-8-17)15-23-11-9-22(10-12-23)13-14-24-18-3-1-2-4-19(18)26-20(24)25/h1-8H,9-15H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50119932
PNG
(3-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-3...)
Show SMILES Clc1ccc(CN2CCN(CCn3c4ccccc4sc3=O)CC2)cc1
Show InChI InChI=1S/C20H22ClN3OS/c21-17-7-5-16(6-8-17)15-23-11-9-22(10-12-23)13-14-24-18-3-1-2-4-19(18)26-20(24)25/h1-8H,9-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.05E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119932
PNG
(3-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-3...)
Show SMILES Clc1ccc(CN2CCN(CCn3c4ccccc4sc3=O)CC2)cc1
Show InChI InChI=1S/C20H22ClN3OS/c21-17-7-5-16(6-8-17)15-23-11-9-22(10-12-23)13-14-24-18-3-1-2-4-19(18)26-20(24)25/h1-8H,9-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.21E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D2 receptor, using [3H]-YM-09151 as a radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair