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BDBM50119882 2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,2-diethyl-2,3-dihydro-indol-1-yl)-ethanone::CHEMBL326250

SMILES: CCC1(CC)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1

InChI Key: InChIKey=WEWHUBNHAHEDPL-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 = 50119882   
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))
BDBM50119882
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,2-diet...)
Show SMILES CCC1(CC)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H32ClN3O/c1-3-25(4-2)17-21-7-5-6-8-23(21)29(25)24(30)19-28-15-13-27(14-16-28)18-20-9-11-22(26)12-10-20/h5-12H,3-4,13-19H2,1-2H3
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PC cid
PC sid
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Similars

PubMed
31n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine Receptor D4 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))
BDBM50119882
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,2-diet...)
Show SMILES CCC1(CC)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H32ClN3O/c1-3-25(4-2)17-21-7-5-6-8-23(21)29(25)24(30)19-28-15-13-27(14-16-28)18-20-9-11-22(26)12-10-20/h5-12H,3-4,13-19H2,1-2H3
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
129n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 was determined via standard competitive displacement assay 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))
BDBM50119882
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,2-diet...)
Show SMILES CCC1(CC)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H32ClN3O/c1-3-25(4-2)17-21-7-5-6-8-23(21)29(25)24(30)19-28-15-13-27(14-16-28)18-20-9-11-22(26)12-10-20/h5-12H,3-4,13-19H2,1-2H3
Reactome pathway
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PC sid
UniChem

Similars

PubMed
2.83E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...


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


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