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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 92962   
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))
BDBM92962
PNG
(ThDP)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
UniProtKB/SwissProt

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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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PubMed
6.70E+6n/an/an/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


BindingDB Entry DOI: 10.7270/Q2JD4ZB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM92962
PNG
(ThDP)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
UniProtKB/SwissProt

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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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PubMed
1.42E+7n/an/an/an/an/an/a8.25n/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


BindingDB Entry DOI: 10.7270/Q2JD4ZB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM92962
PNG
(ThDP)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
UniProtKB/SwissProt

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MCE
KEGG
MMDB
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PC sid
PDB
UniChem

Similars

PubMed
1.46E+7n/an/an/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


BindingDB Entry DOI: 10.7270/Q2JD4ZB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM92962
PNG
(ThDP)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
5.84E+7n/an/an/an/an/an/a8.25n/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


BindingDB Entry DOI: 10.7270/Q2JD4ZB9
More data for this
Ligand-Target Pair