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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50550235'   
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))
BDBM50550235
PNG
(CHEMBL4790426)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)C(=O)\C=C\c3ccc(O)c(OC)c3)c2c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of horse serum BuChE pre-incubated for 10 mins before addition of butyrylthiocholine iodide substrate and further incubated for 15 mins by...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2TMM
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50550235
PNG
(CHEMBL4790426)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)C(=O)\C=C\c3ccc(O)c(OC)c3)c2c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 358n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BuChE in human erythrocyte hemo-lyzates pre-incubated for 5 mins before addition of butyrylthiocholine iodide substrate by Ellman's met...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2TMM
More data for this
Ligand-Target Pair