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PubMed code 10612585

Compile data set for download or QSAR
Found 4 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
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against Acetylcholinesterase (AChE) in rat brain hippocamal crude homogenate

Bioorg Med Chem Lett 9: 3279-84 (2000)


BindingDB Entry DOI: 10.7270/Q2ZP45B8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50083537
PNG
(1-Benzyl-piperidine-4-carboxylic acid (2,6-dimetho...)
Show SMILES COC1CCc2nc(OC)ccc2C1(C)NC(=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O3/c1-25(20-9-12-23(31-3)26-21(20)10-11-22(25)30-2)27-24(29)19-13-15-28(16-14-19)17-18-7-5-4-6-8-18/h4-9,12,19,22H,10-11,13-17H2,1-3H3,(H,27,29)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against Acetylcholinesterase (AChE) in rat brain hippocamal crude homogenate

Bioorg Med Chem Lett 9: 3279-84 (2000)


BindingDB Entry DOI: 10.7270/Q2ZP45B8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50083538
PNG
((1-Benzyl-piperidin-4-ylmethyl)-(2,6-dimethoxy-5-m...)
Show SMILES COC1CCc2nc(OC)ccc2C1(C)NCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H35N3O2/c1-25(21-9-12-24(30-3)27-22(21)10-11-23(25)29-2)26-17-19-13-15-28(16-14-19)18-20-7-5-4-6-8-20/h4-9,12,19,23,26H,10-11,13-18H2,1-3H3
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n/an/a>1.77E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against Acetylcholinesterase (AChE) in rat brain hippocamal crude homogenate

Bioorg Med Chem Lett 9: 3279-84 (2000)


BindingDB Entry DOI: 10.7270/Q2ZP45B8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50083539
PNG
(5-[(1-Benzyl-piperidin-4-ylmethyl)-amino]-6-hydrox...)
Show SMILES CC1(NCC2CCN(Cc3ccccc3)CC2)C(O)CCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C23H31N3O2/c1-23(19-7-10-22(28)25-20(19)8-9-21(23)27)24-15-17-11-13-26(14-12-17)16-18-5-3-2-4-6-18/h2-7,10,17,21,24,27H,8-9,11-16H2,1H3,(H,25,28)
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n/an/a>1.90E+5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against Acetylcholinesterase (AChE) in rat brain hippocamal crude homogenate

Bioorg Med Chem Lett 9: 3279-84 (2000)


BindingDB Entry DOI: 10.7270/Q2ZP45B8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%