BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50235800'   
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


(Homo sapiens (Human))
BDBM50235800
PNG
(Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BuChE (unknown origin)


Eur J Med Chem 132: 294-309 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.062
BindingDB Entry DOI: 10.7270/Q2HX1G33
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50235800
PNG
(Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50235800
PNG
(Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128602
BindingDB Entry DOI: 10.7270/Q2HM5DF5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50235800
PNG
(Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured afte...


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235800
PNG
(Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 119n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured afte...


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50235800
PNG
(Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/a 1.30E+5n/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235800
PNG
(Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/a 2.40E+3n/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair