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BDBM50124931 5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tetrahydro-5H-azepino[3,2,1-hi]indol-4-one::CHEMBL352207

SMILES: Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1

InChI Key: InChIKey=MDCLDPYRUQCBTL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50124931   
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
Dopamine receptor


(Homo sapiens (Human))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 13: 701-4 (2003)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
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5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D4 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
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62n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
D2 receptor functional activity was measured through reversal of quinpirole inhibited, forskolin stimulated cAMP production from whole cells


Bioorg Med Chem Lett 13: 701-4 (2003)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
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116n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 13: 701-4 (2003)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124931
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2
Reactome pathway
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UniProtKB/SwissProt

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PubMed
2.28E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from D2 receptor


Bioorg Med Chem Lett 13: 701-4 (2003)


BindingDB Entry DOI: 10.7270/Q2B56J44
More data for this
Ligand-Target Pair