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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50570980'   
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


(Homo sapiens (Human))
BDBM50570980
PNG
(CHEMBL4847624)
Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c(OC)c1 |c:8|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
3.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50570980
PNG
(CHEMBL4847624)
Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c(OC)c1 |c:8|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair