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4 similar compounds to monomer 9057

Compile data set for download or QSAR
Wt: 480.6
BDBM9056
Wt: 508.7
BDBM9058
Wt: 199.2
BDBM50279997
Wt: 507.7
BDBM50318720

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 9056,9058,50279997,50318720   
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


(Rattus norvegicus (rat))
BDBM9056
PNG
(Homodimeric Tacrine Analog 3j | N,N-Bis-(1,2,3,4-t...)
Show SMILES C(CCCNc1c2CCCCc2nc2ncccc12)CCNc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C30H36N6/c1(7-17-31-27-21-11-3-5-15-25(21)35-29-23(27)13-9-19-33-29)2-8-18-32-28-22-12-4-6-16-26(22)36-30-24(28)14-10-20-34-30/h9-10,13-14,19-20H,1-8,11-12,15-18H2,(H,31,33,35)(H,32,34,36)
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n/an/a 4.80n/an/an/an/a7.437



National Defense Medical Center



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


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9058
PNG
(Homodimeric Tacrine Analog 3m | N,N-Bis-(1,2,3,4-t...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ncccc12)CCCNc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C32H40N6/c1(3-9-19-33-29-23-13-5-7-17-27(23)37-31-25(29)15-11-21-35-31)2-4-10-20-34-30-24-14-6-8-18-28(24)38-32-26(30)16-12-22-36-32/h11-12,15-16,21-22H,1-10,13-14,17-20H2,(H,33,35,37)(H,34,36,38)
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n/an/a 1.90n/an/an/an/a7.437



National Defense Medical Center



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


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9056
PNG
(Homodimeric Tacrine Analog 3j | N,N-Bis-(1,2,3,4-t...)
Show SMILES C(CCCNc1c2CCCCc2nc2ncccc12)CCNc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C30H36N6/c1(7-17-31-27-21-11-3-5-15-25(21)35-29-23(27)13-9-19-33-29)2-8-18-32-28-22-12-4-6-16-26(22)36-30-24(28)14-10-20-34-30/h9-10,13-14,19-20H,1-8,11-12,15-18H2,(H,31,33,35)(H,32,34,36)
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n/an/a 93n/an/an/an/an/an/a



National Defense Medical Center



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


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50318720
PNG
(CHEMBL1083488 | N1-(7,8,9,10-tetrahydro-6H-cyclohe...)
Show SMILES C(CCCNc1c2CCCCCc2nc2ncccc12)CCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C33H41N5/c1(11-21-34-31-24-14-5-3-7-18-28(24)37-29-20-10-9-16-25(29)31)2-12-22-35-32-26-15-6-4-8-19-30(26)38-33-27(32)17-13-23-36-33/h9-10,13,16-17,20,23H,1-8,11-12,14-15,18-19,21-22H2,(H,34,37)(H,35,36,38)
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n/an/a 2.5n/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


(Homo sapiens (Human))
BDBM50279997
PNG
(6,7,8,9-Tetrahydro-benzo[b][1,8]naphthyridin-5-yla...)
Show SMILES Nc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C12H13N3/c13-11-8-4-1-2-6-10(8)15-12-9(11)5-3-7-14-12/h3,5,7H,1-2,4,6H2,(H2,13,14,15)
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n/an/a 429n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)


Article DOI: 10.1016/S0960-894X(00)80267-X
BindingDB Entry DOI: 10.7270/Q2G73DN0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9056
PNG
(Homodimeric Tacrine Analog 3j | N,N-Bis-(1,2,3,4-t...)
Show SMILES C(CCCNc1c2CCCCc2nc2ncccc12)CCNc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C30H36N6/c1(7-17-31-27-21-11-3-5-15-25(21)35-29-23(27)13-9-19-33-29)2-8-18-32-28-22-12-4-6-16-26(22)36-30-24(28)14-10-20-34-30/h9-10,13-14,19-20H,1-8,11-12,15-18H2,(H,31,33,35)(H,32,34,36)
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n/an/a 4.80n/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


(Homo sapiens (Human))
BDBM9058
PNG
(Homodimeric Tacrine Analog 3m | N,N-Bis-(1,2,3,4-t...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ncccc12)CCCNc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C32H40N6/c1(3-9-19-33-29-23-13-5-7-17-27(23)37-31-25(29)15-11-21-35-31)2-4-10-20-34-30-24-14-6-8-18-28(24)38-32-26(30)16-12-22-36-32/h11-12,15-16,21-22H,1-10,13-14,17-20H2,(H,33,35,37)(H,34,36,38)
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n/an/a 1.90n/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
Cholinesterase


(Homo sapiens (Human))
BDBM9058
PNG
(Homodimeric Tacrine Analog 3m | N,N-Bis-(1,2,3,4-t...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ncccc12)CCCNc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C32H40N6/c1(3-9-19-33-29-23-13-5-7-17-27(23)37-31-25(29)15-11-21-35-31)2-4-10-20-34-30-24-14-6-8-18-28(24)38-32-26(30)16-12-22-36-32/h11-12,15-16,21-22H,1-10,13-14,17-20H2,(H,33,35,37)(H,34,36,38)
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n/an/a 23n/an/an/an/an/an/a



National Defense Medical Center



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


J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair