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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50317180   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterase


(Equus caballus (Horse))
BDBM50317180
PNG
(2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...)
Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317180
PNG
(2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...)
Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 248n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50317180
PNG
(2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...)
Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2
PDB
MMDB

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KEGG

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UniChem

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Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced human NR1-1a/NR2A receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L12-G10 cells assess...


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50317180
PNG
(2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...)
Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assesse...


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair