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SMILES: Clc1ccc2c(NCCCNCCCOc3cccc4[nH]c5ccccc5c34)c3CCCCc3nc2c1

InChI Key: InChIKey=LPEKEPLZQKHSPL-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50263213   
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
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50263213
PNG
(CHEMBL478666 | N-[3-(9H-Carbazol-4-yloxy)propyl]-N...)
Show SMILES Clc1ccc2c(NCCCNCCCOc3cccc4[nH]c5ccccc5c34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H33ClN4O/c32-21-14-15-24-28(20-21)36-26-11-4-2-9-23(26)31(24)34-18-6-16-33-17-7-19-37-29-13-5-12-27-30(29)22-8-1-3-10-25(22)35-27/h1,3,5,8,10,12-15,20,33,35H,2,4,6-7,9,11,16-19H2,(H,34,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



UniVersity of Bologna

Curated by ChEMBL


Assay Description
Inhibition of NMDA NR1/NR2B receptor (unknown origin) expressed in xenopus oocytes assessed as inhibition of NMDA and glycine-induced current respons...


J Med Chem 51: 4381-4 (2008)


Article DOI: 10.1021/jm800577j
BindingDB Entry DOI: 10.7270/Q21G0M23
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50263213
PNG
(CHEMBL478666 | N-[3-(9H-Carbazol-4-yloxy)propyl]-N...)
Show SMILES Clc1ccc2c(NCCCNCCCOc3cccc4[nH]c5ccccc5c34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H33ClN4O/c32-21-14-15-24-28(20-21)36-26-11-4-2-9-23(26)31(24)34-18-6-16-33-17-7-19-37-29-13-5-12-27-30(29)22-8-1-3-10-25(22)35-27/h1,3,5,8,10,12-15,20,33,35H,2,4,6-7,9,11,16-19H2,(H,34,36)
PDB
MMDB

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KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 296n/an/an/an/an/an/a



UniVersity of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE by Ellman's method


J Med Chem 51: 4381-4 (2008)


Article DOI: 10.1021/jm800577j
BindingDB Entry DOI: 10.7270/Q21G0M23
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50263213
PNG
(CHEMBL478666 | N-[3-(9H-Carbazol-4-yloxy)propyl]-N...)
Show SMILES Clc1ccc2c(NCCCNCCCOc3cccc4[nH]c5ccccc5c34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H33ClN4O/c32-21-14-15-24-28(20-21)36-26-11-4-2-9-23(26)31(24)34-18-6-16-33-17-7-19-37-29-13-5-12-27-30(29)22-8-1-3-10-25(22)35-27/h1,3,5,8,10,12-15,20,33,35H,2,4,6-7,9,11,16-19H2,(H,34,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.15n/an/an/an/an/an/a



UniVersity of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


J Med Chem 51: 4381-4 (2008)


Article DOI: 10.1021/jm800577j
BindingDB Entry DOI: 10.7270/Q21G0M23
More data for this
Ligand-Target Pair