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BDBM50119924 2-[4-(2,5-Dimethyl-benzyl)-piperazin-1-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone::CHEMBL105304

SMILES: CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(C)ccc2C)CC1

InChI Key: InChIKey=GAZDGUQLDXYUCF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50119924   
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))
BDBM50119924
PNG
(2-[4-(2,5-Dimethyl-benzyl)-piperazin-1-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(C)ccc2C)CC1
Show InChI InChI=1S/C24H31N3O/c1-18-8-9-19(2)22(14-18)16-25-10-12-26(13-11-25)17-24(28)27-20(3)15-21-6-4-5-7-23(21)27/h4-9,14,20H,10-13,15-17H2,1-3H3
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PC cid
PC sid
UniChem

Similars

PubMed
8n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119924
PNG
(2-[4-(2,5-Dimethyl-benzyl)-piperazin-1-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(C)ccc2C)CC1
Show InChI InChI=1S/C24H31N3O/c1-18-8-9-19(2)22(14-18)16-25-10-12-26(13-11-25)17-24(28)27-20(3)15-21-6-4-5-7-23(21)27/h4-9,14,20H,10-13,15-17H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
119n/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