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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50111774   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111774
PNG
(CHEMBL3605359)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C24H34N4O9/c1-27(11-13-3-5-14(34-2)6-4-13)12-18(37-23-21(32)20(31)17(10-25)36-23)16-9-15(29)22(35-16)28-8-7-19(30)26-24(28)33/h3-8,15-18,20-23,29,31-32H,9-12,25H2,1-2H3,(H,26,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111774
PNG
(CHEMBL3605359)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C24H34N4O9/c1-27(11-13-3-5-14(34-2)6-4-13)12-18(37-23-21(32)20(31)17(10-25)36-23)16-9-15(29)22(35-16)28-8-7-19(30)26-24(28)33/h3-8,15-18,20-23,29,31-32H,9-12,25H2,1-2H3,(H,26,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 47n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111774
PNG
(CHEMBL3605359)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C24H34N4O9/c1-27(11-13-3-5-14(34-2)6-4-13)12-18(37-23-21(32)20(31)17(10-25)36-23)16-9-15(29)22(35-16)28-8-7-19(30)26-24(28)33/h3-8,15-18,20-23,29,31-32H,9-12,25H2,1-2H3,(H,26,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 51n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111774
PNG
(CHEMBL3605359)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C24H34N4O9/c1-27(11-13-3-5-14(34-2)6-4-13)12-18(37-23-21(32)20(31)17(10-25)36-23)16-9-15(29)22(35-16)28-8-7-19(30)26-24(28)33/h3-8,15-18,20-23,29,31-32H,9-12,25H2,1-2H3,(H,26,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 120n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair