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PubMed code 9873615

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50072037
PNG
(Butyl-carbamic acid (S)-bicyclo[2.2.1]hept-2-yl es...)
Show SMILES CCCCNC(=O)OC1C[C@H]2CCC1C2 |THB:7:8:14:12.11|
Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10?,11?/m0/s1
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20n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50072037
PNG
(Butyl-carbamic acid (S)-bicyclo[2.2.1]hept-2-yl es...)
Show SMILES CCCCNC(=O)OC1C[C@H]2CCC1C2 |THB:7:8:14:12.11|
Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10?,11?/m0/s1
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20n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50072039
PNG
(Butyl-carbamic acid adamantan-1-yl ester | CHEMBL9...)
Show SMILES CCCCNC(=O)OC12CC3CC(CC(C3)C1)C2 |TLB:17:8:15:12.11.13,THB:7:8:15:12.11.13,16:8:11:14.15.13,16:14:8.9.17:11,17:12:8.9.16:15|
Show InChI InChI=1S/C15H25NO2/c1-2-3-4-16-14(17)18-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
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800n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50450709
PNG
(CHEMBL3084810)
Show SMILES CCCCNC(=O)OC1C2CC3CC(C2)CC1C3 |TLB:17:16:14:11.10.12,THB:7:8:11.10.17:13.14.15,7:8:14:11.10.12,17:11:14:8.16.15,12:11:8:13.14.15,12:13:8:11.10.17,(17.66,-10.86,;16.38,-11.71,;14.99,-11.05,;13.7,-11.91,;12.31,-11.24,;11.02,-12.1,;11.12,-13.65,;9.64,-11.42,;8.15,-11.83,;6.74,-11.24,;5.68,-12.48,;5.71,-14.08,;4.2,-14.49,;5.4,-13.21,;5.39,-11.73,;6.72,-13.7,;8.15,-13.37,;7.11,-14.64,)|
Show InChI InChI=1S/C15H25NO2/c1-2-3-4-16-15(17)18-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3,(H,16,17)
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800n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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PubMed
3.40E+5n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory concentration against Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50072037
PNG
(Butyl-carbamic acid (S)-bicyclo[2.2.1]hept-2-yl es...)
Show SMILES CCCCNC(=O)OC1C[C@H]2CCC1C2 |THB:7:8:14:12.11|
Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10?,11?/m0/s1
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n/an/an/an/an/an/a 1.10E+5n/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Tested for kinetic data for the horse serum Butyrylcholinesterase-Catalyzed Hydrolysis of Butyrylthiocholine; 10e-3/M. sec


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50072039
PNG
(Butyl-carbamic acid adamantan-1-yl ester | CHEMBL9...)
Show SMILES CCCCNC(=O)OC12CC3CC(CC(C3)C1)C2 |TLB:17:8:15:12.11.13,THB:7:8:15:12.11.13,16:8:11:14.15.13,16:14:8.9.17:11,17:12:8.9.16:15|
Show InChI InChI=1S/C15H25NO2/c1-2-3-4-16-14(17)18-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
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n/an/an/an/an/an/a 1.90E+3n/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Tested for kinetic data for the horse serum Butyrylcholinesterase-Catalyzed Hydrolysis of Butyrylthiocholine; 10e-3/M. sec


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50072037
PNG
(Butyl-carbamic acid (S)-bicyclo[2.2.1]hept-2-yl es...)
Show SMILES CCCCNC(=O)OC1C[C@H]2CCC1C2 |THB:7:8:14:12.11|
Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10?,11?/m0/s1
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n/an/an/an/an/an/a 2.20E+3n/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Tested for kinetic data for the horse serum Butyrylcholinesterase-Catalyzed Hydrolysis of Butyrylthiocholine; 10e-3/M. sec


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50450709
PNG
(CHEMBL3084810)
Show SMILES CCCCNC(=O)OC1C2CC3CC(C2)CC1C3 |TLB:17:16:14:11.10.12,THB:7:8:11.10.17:13.14.15,7:8:14:11.10.12,17:11:14:8.16.15,12:11:8:13.14.15,12:13:8:11.10.17,(17.66,-10.86,;16.38,-11.71,;14.99,-11.05,;13.7,-11.91,;12.31,-11.24,;11.02,-12.1,;11.12,-13.65,;9.64,-11.42,;8.15,-11.83,;6.74,-11.24,;5.68,-12.48,;5.71,-14.08,;4.2,-14.49,;5.4,-13.21,;5.39,-11.73,;6.72,-13.7,;8.15,-13.37,;7.11,-14.64,)|
Show InChI InChI=1S/C15H25NO2/c1-2-3-4-16-15(17)18-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3,(H,16,17)
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n/an/an/an/an/an/a 1.80E+3n/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)


BindingDB Entry DOI: 10.7270/Q2WD4133
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%