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BDBM50092052 1-Ethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one::CHEMBL302340

SMILES: CCN1c2ccccc2CCC(N2CCN(Cc3ccc(C)cc3)CC2)C1=O

InChI Key: InChIKey=IFFCYSLODLRHJM-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50092052   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092052
PNG
(1-Ethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,3...)
Show SMILES CCN1c2ccccc2CCC(N2CCN(Cc3ccc(C)cc3)CC2)C1=O
Show InChI InChI=1S/C24H31N3O/c1-3-27-22-7-5-4-6-21(22)12-13-23(24(27)28)26-16-14-25(15-17-26)18-20-10-8-19(2)9-11-20/h4-11,23H,3,12-18H2,1-2H3
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092052
PNG
(1-Ethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,3...)
Show SMILES CCN1c2ccccc2CCC(N2CCN(Cc3ccc(C)cc3)CC2)C1=O
Show InChI InChI=1S/C24H31N3O/c1-3-27-22-7-5-4-6-21(22)12-13-23(24(27)28)26-16-14-25(15-17-26)18-20-10-8-19(2)9-11-20/h4-11,23H,3,12-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.96E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.


Bioorg Med Chem Lett 10: 2119-22 (2000)


BindingDB Entry DOI: 10.7270/Q2SN0869
More data for this
Ligand-Target Pair