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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50111773   
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))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C21H35N5O8/c1-25-5-2-3-11(25)9-23-10-15(34-20-18(30)17(29)14(8-22)33-20)13-7-12(27)19(32-13)26-6-4-16(28)24-21(26)31/h4,6,11-15,17-20,23,27,29-30H,2-3,5,7-10,22H2,1H3,(H,24,28,31)/t11?,12-,13+,14-,15+,17-,18-,19-,20+/m1/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/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))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C21H35N5O8/c1-25-5-2-3-11(25)9-23-10-15(34-20-18(30)17(29)14(8-22)33-20)13-7-12(27)19(32-13)26-6-4-16(28)24-21(26)31/h4,6,11-15,17-20,23,27,29-30H,2-3,5,7-10,22H2,1H3,(H,24,28,31)/t11?,12-,13+,14-,15+,17-,18-,19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 94n/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))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C21H35N5O8/c1-25-5-2-3-11(25)9-23-10-15(34-20-18(30)17(29)14(8-22)33-20)13-7-12(27)19(32-13)26-6-4-16(28)24-21(26)31/h4,6,11-15,17-20,23,27,29-30H,2-3,5,7-10,22H2,1H3,(H,24,28,31)/t11?,12-,13+,14-,15+,17-,18-,19-,20+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 97n/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))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C21H35N5O8/c1-25-5-2-3-11(25)9-23-10-15(34-20-18(30)17(29)14(8-22)33-20)13-7-12(27)19(32-13)26-6-4-16(28)24-21(26)31/h4,6,11-15,17-20,23,27,29-30H,2-3,5,7-10,22H2,1H3,(H,24,28,31)/t11?,12-,13+,14-,15+,17-,18-,19-,20+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70E+3n/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