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BDBM50119980 2-[4-(2-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-methyl-2,3-dihydro-indol-1-yl)-ethanone::CHEMBL321201

SMILES: C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1

InChI Key: InChIKey=IEICVHLYUUMYCM-QGZVFWFLSA-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 = 50119980   
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))
BDBM50119980
PNG
(2-[4-(2-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-18-6-3-5-9-21(18)26(17)22(27)16-25-12-10-24(11-13-25)15-19-7-2-4-8-20(19)23/h2-9,17H,10-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119980
PNG
(2-[4-(2-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-18-6-3-5-9-21(18)26(17)22(27)16-25-12-10-24(11-13-25)15-19-7-2-4-8-20(19)23/h2-9,17H,10-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.15E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50119980
PNG
(2-[4-(2-Chloro-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-18-6-3-5-9-21(18)26(17)22(27)16-25-12-10-24(11-13-25)15-19-7-2-4-8-20(19)23/h2-9,17H,10-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair