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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50377920
PNG
(CHEMBL540657)
Show SMILES Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cn(CCNc3c4CCCCc4nc4ccccc34)nn1)c1cc(=[NH2+])ccc21
Show InChI InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)50(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-49(48-47-32)25-23-45-41-35-15-7-9-17-38(35)46-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,46)/p+1
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460n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse BuChE


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


(Mus musculus (Mouse))
BDBM50028051
PNG
(CHEMBL23626 | Diallyl-(1-phenyl-cyclohexyl)-amine)
Show SMILES C=CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H25N/c1-3-15-19(16-4-2)18(13-9-6-10-14-18)17-11-7-5-8-12-17/h3-5,7-8,11-12H,1-2,6,9-10,13-16H2
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501n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028051
PNG
(CHEMBL23626 | Diallyl-(1-phenyl-cyclohexyl)-amine)
Show SMILES C=CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H25N/c1-3-15-19(16-4-2)18(13-9-6-10-14-18)17-11-7-5-8-12-17/h3-5,7-8,11-12H,1-2,6,9-10,13-16H2
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501n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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525n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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525n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50149201
PNG
(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Show SMILES Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cnnn1CCNc1c3CCCCc3nc3ccccc13)c1cc(=[NH2+])ccc21
Show InChI InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)49(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-46-48-50(32)25-23-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,47)/p+1
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720n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse BuChE


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


(Mus musculus (Mouse))
BDBM50028052
PNG
(Allyl-ethyl-(1-phenyl-cyclohexyl)-amine | CHEMBL23...)
Show SMILES CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3
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2.57E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028052
PNG
(Allyl-ethyl-(1-phenyl-cyclohexyl)-amine | CHEMBL23...)
Show SMILES CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3
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2.57E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028053
PNG
(Allyl-methyl-(1-phenyl-cyclohexyl)-amine | CHEMBL2...)
Show SMILES CN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-3-14-17(2)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h3-4,6-7,10-11H,1,5,8-9,12-14H2,2H3
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5.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028053
PNG
(Allyl-methyl-(1-phenyl-cyclohexyl)-amine | CHEMBL2...)
Show SMILES CN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-3-14-17(2)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h3-4,6-7,10-11H,1,5,8-9,12-14H2,2H3
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5.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028054
PNG
(Allyl-(1-phenyl-cyclohexyl)-amine | CHEMBL281855)
Show SMILES C=CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C15H21N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2
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2.69E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028054
PNG
(Allyl-(1-phenyl-cyclohexyl)-amine | CHEMBL281855)
Show SMILES C=CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C15H21N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2
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2.69E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028055
PNG
(CHEMBL279924 | Ethyl-(1-phenyl-cyclohexyl)-amine |...)
Show SMILES CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C14H21N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3
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5.75E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
-Log (Ki) value for butyrylcholinesterase by inhibiting DFP


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50028055
PNG
(CHEMBL279924 | Ethyl-(1-phenyl-cyclohexyl)-amine |...)
Show SMILES CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C14H21N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3
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5.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the protection of butrylcholinesterase against DFT in mice and expressed as Ki.


J Med Chem 27: 1267-71 (1984)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50312905
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NCC3CCCCC3)ccc12
Show InChI InChI=1S/C28H37N3O2/c1-28-16-18-31(17-15-21-9-5-3-6-10-21)26(28)30(2)25-14-13-23(19-24(25)28)33-27(32)29-20-22-11-7-4-8-12-22/h3,5-6,9-10,13-14,19,22,26H,4,7-8,11-12,15-18,20H2,1-2H3,(H,29,32)/t26-,28-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312902
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NCc3ccccc3)ccc12
Show InChI InChI=1S/C28H31N3O2/c1-28-16-18-31(17-15-21-9-5-3-6-10-21)26(28)30(2)25-14-13-23(19-24(25)28)33-27(32)29-20-22-11-7-4-8-12-22/h3-14,19,26H,15-18,20H2,1-2H3,(H,29,32)/t26-,28-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50373109
PNG
(CHEMBL406645)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C37H58N2O2/c1-3-36(32-18-16-20-34(40)28-32)22-10-14-26-38(30-36)24-12-8-6-5-7-9-13-25-39-27-15-11-23-37(4-2,31-39)33-19-17-21-35(41)29-33/h16-21,28-29,40-41H,3-15,22-27,30-31H2,1-2H3/t36-,37-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50014113
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C22H27N3O2/c1-22-12-14-25(13-11-16-7-5-4-6-8-16)20(22)24(3)19-10-9-17(15-18(19)22)27-21(26)23-2/h4-10,15,20H,11-14H2,1-3H3,(H,23,26)/t20-,22-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312892
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CCCCCCNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C27H37N3O2/c1-4-5-6-10-17-28-26(31)32-22-13-14-24-23(20-22)27(2)16-19-30(25(27)29(24)3)18-15-21-11-8-7-9-12-21/h7-9,11-14,20,25H,4-6,10,15-19H2,1-3H3,(H,28,31)/t25-,27-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312903
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NCCc3ccccc3)ccc12
Show InChI InChI=1S/C29H33N3O2/c1-29-17-20-32(19-16-23-11-7-4-8-12-23)27(29)31(2)26-14-13-24(21-25(26)29)34-28(33)30-18-15-22-9-5-3-6-10-22/h3-14,21,27H,15-20H2,1-2H3,(H,30,33)/t27-,29-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50373108
PNG
(CHEMBL259523)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C38H60N2O2/c1-3-37(33-19-17-21-35(41)29-33)23-11-15-27-39(31-37)25-13-9-7-5-6-8-10-14-26-40-28-16-12-24-38(4-2,32-40)34-20-18-22-36(42)30-34/h17-22,29-30,41-42H,3-16,23-28,31-32H2,1-2H3/t37-,38-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50312904
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NC3CCCCC3)ccc12
Show InChI InChI=1S/C27H35N3O2/c1-27-16-18-30(17-15-20-9-5-3-6-10-20)25(27)29(2)24-14-13-22(19-23(24)27)32-26(31)28-21-11-7-4-8-12-21/h3,5-6,9-10,13-14,19,21,25H,4,7-8,11-12,15-18H2,1-2H3,(H,28,31)/t25-,27-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50373110
PNG
(CHEMBL410915)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C36H56N2O2/c1-3-35(31-17-15-19-33(39)27-31)21-9-13-25-37(29-35)23-11-7-5-6-8-12-24-38-26-14-10-22-36(4-2,30-38)32-18-16-20-34(40)28-32/h15-20,27-28,39-40H,3-14,21-26,29-30H2,1-2H3/t35-,36-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50373118
PNG
(CHEMBL406885)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C39H62N2O2/c1-3-38(34-20-18-22-36(42)30-34)24-12-16-28-40(32-38)26-14-10-8-6-5-7-9-11-15-27-41-29-17-13-25-39(4-2,33-41)35-21-19-23-37(43)31-35/h18-23,30-31,42-43H,3-17,24-29,32-33H2,1-2H3/t38-,39-/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50312897
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C29H34N4O2/c1-29-17-19-33(18-16-21-8-6-5-7-9-21)27(29)32(4)26-15-14-24(20-25(26)29)35-28(34)30-22-10-12-23(13-11-22)31(2)3/h5-15,20,27H,16-19H2,1-4H3,(H,30,34)/t27-,29-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312887
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C28H31N3O3/c1-28-16-18-31(17-15-20-7-5-4-6-8-20)26(28)30(2)25-14-13-23(19-24(25)28)34-27(32)29-21-9-11-22(33-3)12-10-21/h4-14,19,26H,15-18H2,1-3H3,(H,29,32)/t26-,28-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312890
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1OC
Show InChI InChI=1S/C29H33N3O4/c1-29-15-17-32(16-14-20-8-6-5-7-9-20)27(29)31(2)24-12-11-22(19-23(24)29)36-28(33)30-21-10-13-25(34-3)26(18-21)35-4/h5-13,18-19,27H,14-17H2,1-4H3,(H,30,33)/t27-,29-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312891
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc4OCOc4c3)ccc12
Show InChI InChI=1S/C28H29N3O4/c1-28-13-15-31(14-12-19-6-4-3-5-7-19)26(28)30(2)23-10-9-21(17-22(23)28)35-27(32)29-20-8-11-24-25(16-20)34-18-33-24/h3-11,16-17,26H,12-15,18H2,1-2H3,(H,29,32)/t26-,28-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50373117
PNG
(CHEMBL265214)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C40H64N2O2/c1-3-39(35-21-19-23-37(43)31-35)25-13-17-29-41(33-39)27-15-11-9-7-5-6-8-10-12-16-28-42-30-18-14-26-40(4-2,34-42)36-22-20-24-38(44)32-36/h19-24,31-32,43-44H,3-18,25-30,33-34H2,1-2H3/t39-,40-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50373111
PNG
(CHEMBL258935)
Show SMILES CC[C@]1(CCCCN(CCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C35H54N2O2/c1-3-34(30-16-14-18-32(38)26-30)20-8-12-24-36(28-34)22-10-6-5-7-11-23-37-25-13-9-21-35(4-2,29-37)31-17-15-19-33(39)27-31/h14-19,26-27,38-39H,3-13,20-25,28-29H2,1-2H3/t34-,35-/m1/s1
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n/an/a 102n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50373114
PNG
(CHEMBL409858)
Show SMILES CC[C@]1(CCCCN(CCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C32H48N2O2/c1-3-31(27-13-11-15-29(35)23-27)17-5-7-19-33(25-31)21-9-10-22-34-20-8-6-18-32(4-2,26-34)28-14-12-16-30(36)24-28/h11-16,23-24,35-36H,3-10,17-22,25-26H2,1-2H3/t31-,32-/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50373112
PNG
(CHEMBL258505)
Show SMILES CC[C@]1(CCCCN(CCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C34H52N2O2/c1-3-33(29-15-13-17-31(37)25-29)19-7-11-23-35(27-33)21-9-5-6-10-22-36-24-12-8-20-34(4-2,28-36)30-16-14-18-32(38)26-30/h13-18,25-26,37-38H,3-12,19-24,27-28H2,1-2H3/t33-,34-/m1/s1
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n/an/a 119n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50373119
PNG
(CHEMBL411226)
Show SMILES CC[C@]1(CCCCN(CCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C30H44N2O2/c1-3-29(25-11-9-13-27(33)21-25)15-5-7-17-31(23-29)19-20-32-18-8-6-16-30(4-2,24-32)26-12-10-14-28(34)22-26/h9-14,21-22,33-34H,3-8,15-20,23-24H2,1-2H3/t29-,30-/m1/s1
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n/an/a 125n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50373115
PNG
(CHEMBL258468)
Show SMILES CC[C@]1(CCCCN(CCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C31H46N2O2/c1-3-30(26-12-9-14-28(34)22-26)16-5-7-18-32(24-30)20-11-21-33-19-8-6-17-31(4-2,25-33)27-13-10-15-29(35)23-27/h9-10,12-15,22-23,34-35H,3-8,11,16-21,24-25H2,1-2H3/t30-,31-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM50312815
PNG
((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-2-yl)ethyl)-...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccn5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C29H34N4O2/c1-20(2)21-8-10-23(11-9-21)31-28(34)35-24-12-13-26-25(19-24)29(3)15-18-33(27(29)32(26)4)17-14-22-7-5-6-16-30-22/h5-13,16,19-20,27H,14-15,17-18H2,1-4H3,(H,31,34)/t27-,29-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312818
PNG
((3aS,8aR)-3a,8-dimethyl-1-(2-(piperidin-1-yl)ethyl...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCN5CCCCC5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C29H40N4O2/c1-21(2)22-8-10-23(11-9-22)30-28(34)35-24-12-13-26-25(20-24)29(3)14-17-33(27(29)31(26)4)19-18-32-15-6-5-7-16-32/h8-13,20-21,27H,5-7,14-19H2,1-4H3,(H,30,34)/t27-,29-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312817
PNG
((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-4-yl)ethyl)-...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccncc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C29H34N4O2/c1-20(2)22-5-7-23(8-6-22)31-28(34)35-24-9-10-26-25(19-24)29(3)14-18-33(27(29)32(26)4)17-13-21-11-15-30-16-12-21/h5-12,15-16,19-20,27H,13-14,17-18H2,1-4H3,(H,31,34)/t27-,29-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312816
PNG
((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-3-yl)ethyl)-...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5cccnc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C29H34N4O2/c1-20(2)22-7-9-23(10-8-22)31-28(34)35-24-11-12-26-25(18-24)29(3)14-17-33(27(29)32(26)4)16-13-21-6-5-15-30-19-21/h5-12,15,18-20,27H,13-14,16-17H2,1-4H3,(H,31,34)/t27-,29-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50373113
PNG
(CHEMBL408463)
Show SMILES CCC1(CCCCN(CCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C33H50N2O2/c1-3-32(28-14-12-16-30(36)24-28)18-6-10-22-34(26-32)20-8-5-9-21-35-23-11-7-19-33(4-2,27-35)29-15-13-17-31(37)25-29/h12-17,24-25,36-37H,3-11,18-23,26-27H2,1-2H3/t32-,33?/m1/s1
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n/an/a 192n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE


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


(Mus musculus (Mouse))
BDBM10960
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(C)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(27)28-18-10-11-20-19(14-18)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21-,23+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
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
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 280n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
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
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 280n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312893
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3)ccc12
Show InChI InChI=1S/C27H29N3O2/c1-27-16-18-30(17-15-20-9-5-3-6-10-20)25(27)29(2)24-14-13-22(19-23(24)27)32-26(31)28-21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3,(H,28,31)/t25-,27-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312899
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C27H28ClN3O2/c1-27-15-17-31(16-14-19-6-4-3-5-7-19)25(27)30(2)24-13-12-22(18-23(24)27)33-26(32)29-21-10-8-20(28)9-11-21/h3-13,18,25H,14-17H2,1-2H3,(H,29,32)/t25-,27-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312894
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc(cc3)C(C)(C)C)ccc12
Show InChI InChI=1S/C31H37N3O2/c1-30(2,3)23-11-13-24(14-12-23)32-29(35)36-25-15-16-27-26(21-25)31(4)18-20-34(28(31)33(27)5)19-17-22-9-7-6-8-10-22/h6-16,21,28H,17-20H2,1-5H3,(H,32,35)/t28-,31-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312808
PNG
((3aS,8aR)-1-(4-chlorophenethyl)-3a,8-dimethyl-1,2,...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccc(Cl)cc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C30H34ClN3O2/c1-20(2)22-7-11-24(12-8-22)32-29(35)36-25-13-14-27-26(19-25)30(3)16-18-34(28(30)33(27)4)17-15-21-5-9-23(31)10-6-21/h5-14,19-20,28H,15-18H2,1-4H3,(H,32,35)/t28-,30-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312807
PNG
((3aS,8aR)-1-(4-fluorophenethyl)-3a,8-dimethyl-1,2,...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccc(F)cc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C30H34FN3O2/c1-20(2)22-7-11-24(12-8-22)32-29(35)36-25-13-14-27-26(19-25)30(3)16-18-34(28(30)33(27)4)17-15-21-5-9-23(31)10-6-21/h5-14,19-20,28H,15-18H2,1-4H3,(H,32,35)/t28-,30-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312804
PNG
((3aS,8aR)-3a,8-dimethyl-1-(3-phenylpropyl)-1,2,3,3...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCCc5ccccc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C31H37N3O2/c1-22(2)24-12-14-25(15-13-24)32-30(35)36-26-16-17-28-27(21-26)31(3)18-20-34(29(31)33(28)4)19-8-11-23-9-6-5-7-10-23/h5-7,9-10,12-17,21-22,29H,8,11,18-20H2,1-4H3,(H,32,35)/t29-,31-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312802
PNG
((3aS,8aR)-1-benzyl-3a,8-dimethyl-1,2,3,3a,8,8a-hex...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(Cc5ccccc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C29H33N3O2/c1-20(2)22-10-12-23(13-11-22)30-28(33)34-24-14-15-26-25(18-24)29(3)16-17-32(27(29)31(26)4)19-21-8-6-5-7-9-21/h5-15,18,20,27H,16-17,19H2,1-4H3,(H,30,33)/t27-,29-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


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


(Mus musculus (Mouse))
BDBM50312803
PNG
((3aS,8aR)-3a,8-dimethyl-1-phenethyl-1,2,3,3a,8,8a-...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C30H35N3O2/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)/t28-,30-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


Citation and Details
More data for this
Ligand-Target Pair
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