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BDBM50119965 2-[4-(3,5-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-2-methyl-2,3-dihydro-indol-1-yl)-ethanone::CHEMBL326010

SMILES: C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

InChI Key: InChIKey=XKSRPDXBGYGWEX-MRXNPFEDSA-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 = 50119965   
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))
BDBM50119965
PNG
(2-[4-(3,5-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-10-18-4-2-3-5-21(18)27(16)22(28)15-26-8-6-25(7-9-26)14-17-11-19(23)13-20(24)12-17/h2-5,11-13,16H,6-10,14-15H2,1H3/t16-/m1/s1
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PC cid
PC sid
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Similars

PubMed
7n/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))
BDBM50119965
PNG
(2-[4-(3,5-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-10-18-4-2-3-5-21(18)27(16)22(28)15-26-8-6-25(7-9-26)14-17-11-19(23)13-20(24)12-17/h2-5,11-13,16H,6-10,14-15H2,1H3/t16-/m1/s1
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PC sid
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PubMed
271n/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))
BDBM50119965
PNG
(2-[4-(3,5-Dichloro-benzyl)-piperazin-1-yl]-1-((R)-...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-10-18-4-2-3-5-21(18)27(16)22(28)15-26-8-6-25(7-9-26)14-17-11-19(23)13-20(24)12-17/h2-5,11-13,16H,6-10,14-15H2,1H3/t16-/m1/s1
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PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor was determined by competitive displacement assays using rat brain homogenate with [3H]prazosin a...


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


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