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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM231532'   
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


(Mus musculus (mouse))
BDBM231532
PNG
(US9346818, I-17 | US9346818, I-34)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C2(CC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C25H28N2O3/c28-24-20-14-22-23(30-17-29-22)15-21(20)25(9-10-25)27(24)13-8-18-6-11-26(12-7-18)16-19-4-2-1-3-5-19/h1-5,14-15,18H,6-13,16-17H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 197n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co., Ltd.

US Patent


Assay Description
Modified Ellman method (Alvin V. et al. JWS-USC-75-IX Improves Information Processing and Cognitive Function in Animal Models[J]. Journal of Pharmaco...


US Patent US9346818 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZFC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM231532
PNG
(US9346818, I-17 | US9346818, I-34)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C2(CC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C25H28N2O3/c28-24-20-14-22-23(30-17-29-22)15-21(20)25(9-10-25)27(24)13-8-18-6-11-26(12-7-18)16-19-4-2-1-3-5-19/h1-5,14-15,18H,6-13,16-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 202n/an/an/an/an/an/a



Zhejiang Hisun Pharmaceutical Co., Ltd.

US Patent


Assay Description
Modified Ellman method (Alvin V. et al. JWS-USC-75-IX Improves Information Processing and Cognitive Function in Animal Models[J]. Journal of Pharmaco...


US Patent US9346818 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZFC
More data for this
Ligand-Target Pair