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BDBM50092042 3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one::CHEMBL67222

SMILES: Clc1ccc(CN2CCN(CC2)C2Cc3ccccc3NC2=O)cc1

InChI Key: InChIKey=NKJVFWPJNBYTCK-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50092042   
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092042
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-3,4-dihydro...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2Cc3ccccc3NC2=O)cc1
Show InChI InChI=1S/C20H22ClN3O/c21-17-7-5-15(6-8-17)14-23-9-11-24(12-10-23)19-13-16-3-1-2-4-18(16)22-20(19)25/h1-8,19H,9-14H2,(H,22,25)
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PC cid
PC sid
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Similars

PubMed
100n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092042
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-3,4-dihydro...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2Cc3ccccc3NC2=O)cc1
Show InChI InChI=1S/C20H22ClN3O/c21-17-7-5-15(6-8-17)14-23-9-11-24(12-10-23)19-13-16-3-1-2-4-18(16)22-20(19)25/h1-8,19H,9-14H2,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.37E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair