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12 similar compounds to monomer 50004022

Compile data set for download or QSAR
Wt: 336.4
BDBM9386
Wt: 350.4
BDBM9412
Wt: 317.4
BDBM10435
Wt: 345.4
BDBM10436
Wt: 373.5
BDBM10437
Wt: 377.4
BDBM138344
Wt: 481.5
BDBM50004007
Wt: 348.4
BDBM50004020
Wt: 272.3
BDBM50008578
Wt: 350.4
BDBM50037175
Wt: 534.6
BDBM50074555
Wt: 520.7
BDBM50408912

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 9386,9412,10435,10436,10437,138344,50004007,50004020,50008578,50037175,50074555,50408912   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10435
PNG
(8-(Phthalimidooctyl)-trimethylammonium bromide | [...)
Show SMILES C[N+](C)(C)CCCCCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H29N2O2/c1-21(2,3)15-11-7-5-4-6-10-14-20-18(22)16-12-8-9-13-17(16)19(20)23/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3/q+1
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n/an/a 900n/an/an/an/an/an/a



CNRS



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Bioorg Med Chem 6: 1835-50 (1998)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q2B56GZ2
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50408912
PNG
(CHEMBL303002)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)CCCN1Cc2ccccc2C1=O)CCCN1Cc2ccccc2C1=O
Show InChI InChI=1S/C32H48N4O2/c1-35(2,23-13-19-33-25-27-15-7-9-17-29(27)31(33)37)21-11-5-6-12-22-36(3,4)24-14-20-34-26-28-16-8-10-18-30(28)32(34)38/h7-10,15-18H,5-6,11-14,19-26H2,1-4H3/q+2
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of W�rzburg

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-methyl-scopolamine ([3H]NMS) dissociation from porcine cardiac M2-receptors


J Med Chem 43: 2155-64 (2000)


Article DOI: 10.1021/jm991136e
BindingDB Entry DOI: 10.7270/Q2S183QS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10437
PNG
(12-(Phthalimidododecyl)-trimethylammonium bromide ...)
Show SMILES C[N+](C)(C)CCCCCCCCCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H37N2O2/c1-25(2,3)19-15-11-9-7-5-4-6-8-10-14-18-24-22(26)20-16-12-13-17-21(20)23(24)27/h12-13,16-17H,4-11,14-15,18-19H2,1-3H3/q+1
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n/an/a 3.03E+3n/an/an/an/an/an/a



CNRS



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Bioorg Med Chem 6: 1835-50 (1998)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q2B56GZ2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9386
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzam...)
Show SMILES Cc1ccccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2O/c1-18-7-5-6-10-21(18)22(25)23-14-11-19-12-15-24(16-13-19)17-20-8-3-2-4-9-20/h2-10,19H,11-17H2,1H3,(H,23,25)
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n/an/a 1.00E+3n/an/an/an/a7.425



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9412
PNG
(CHEMBL126304 | N-methyl-N-(2-{1-[(2-methylphenyl)m...)
Show SMILES CN(CCC1CCN(Cc2ccccc2C)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-19-8-6-7-11-22(19)18-25-16-13-20(14-17-25)12-15-24(2)23(26)21-9-4-3-5-10-21/h3-11,20H,12-18H2,1-2H3
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n/an/a 770n/an/an/an/an/an/a



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138344
PNG
(US8877944, 49)
Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1
Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)
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US Patent
n/an/a 40n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008578
PNG
(2-[2-(1-Methyl-piperidin-4-yl)-ethyl]-isoindole-1,...)
Show SMILES CN1CCC(CCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C16H20N2O2/c1-17-9-6-12(7-10-17)8-11-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-5,12H,6-11H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


J Med Chem 35: 590-601 (1992)


Article DOI: 10.1021/jm00081a023
BindingDB Entry DOI: 10.7270/Q2VQ31NP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004007
PNG
(2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1,3-dioxo-2,...)
Show SMILES O=C(NCc1ccccc1)c1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C30H31N3O3/c34-28(31-20-23-7-3-1-4-8-23)25-11-12-26-27(19-25)30(36)33(29(26)35)18-15-22-13-16-32(17-14-22)21-24-9-5-2-6-10-24/h1-12,19,22H,13-18,20-21H2,(H,31,34)
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n/an/a 2.20n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004020
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindoline-1,3...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)15-12-17-10-13-23(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
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n/an/a 30n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50004020
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindoline-1,3...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)15-12-17-10-13-23(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
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n/an/a 30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037175
PNG
(2-[5-(Benzyl-ethyl-amino)-pentyl]-isoindole-1,3-di...)
Show SMILES CCN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
Show InChI InChI=1S/C22H26N2O2/c1-2-23(17-18-11-5-3-6-12-18)15-9-4-10-16-24-21(25)19-13-7-8-14-20(19)22(24)26/h3,5-8,11-14H,2,4,9-10,15-17H2,1H3
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n/an/a 3.37E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(GUINEA PIG)
BDBM50074555
PNG
(Bis-{3-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)prop...)
Show SMILES C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C31H42N4O4/c1-34(2,22-12-18-32-28(36)24-14-6-7-15-25(24)29(32)37)20-10-5-11-21-35(3,4)23-13-19-33-30(38)26-16-8-9-17-27(26)31(33)39/h6-9,14-17H,5,10-13,18-23H2,1-4H3/q+2
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n/an/an/an/a 1.39E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2


J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM138344
PNG
(US8877944, 49)
Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1
Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)
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n/an/a 40n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM138344
PNG
(US8877944, 49)
Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1
Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM138344
PNG
(US8877944, 49)
Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1
Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)
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n/an/an/a 2.60E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50004020
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindoline-1,3...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)15-12-17-10-13-23(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
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n/an/a 80n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004020
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindoline-1,3...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)15-12-17-10-13-23(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
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n/an/a 30n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9386
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzam...)
Show SMILES Cc1ccccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2O/c1-18-7-5-6-10-21(18)22(25)23-14-11-19-12-15-24(16-13-19)17-20-8-3-2-4-9-20/h2-10,19H,11-17H2,1H3,(H,23,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9412
PNG
(CHEMBL126304 | N-methyl-N-(2-{1-[(2-methylphenyl)m...)
Show SMILES CN(CCC1CCN(Cc2ccccc2C)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-19-8-6-7-11-22(19)18-25-16-13-20(14-17-25)12-15-24(2)23(26)21-9-4-3-5-10-21/h3-11,20H,12-18H2,1-2H3
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n/an/a 769n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004020
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindoline-1,3...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)15-12-17-10-13-23(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
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n/an/a 30.0n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10436
PNG
(10-(Phthalimidodecyl)-trimethylammonium bromide | ...)
Show SMILES C[N+](C)(C)CCCCCCCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H33N2O2/c1-23(2,3)17-13-9-7-5-4-6-8-12-16-22-20(24)18-14-10-11-15-19(18)21(22)25/h10-11,14-15H,4-9,12-13,16-17H2,1-3H3/q+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.27E+3n/an/an/an/an/an/a



CNRS



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Bioorg Med Chem 6: 1835-50 (1998)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q2B56GZ2
More data for this
Ligand-Target Pair