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6 similar compounds to monomer 10440

Compile data set for download or QSAR
Wt: 466.6
BDBM10439
Wt: 282.3
BDBM50033529
Wt: 268.3
BDBM50033498
Wt: 296.4
BDBM50033504
Wt: 268.3
BDBM50033503
Wt: 296.4
BDBM50033518

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 10439,50033529,50033498,50033504,50033503,50033518   
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...)
BDBM10439
PNG
((5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10439
PNG
((5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10439
PNG
((5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1
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0.800 -12.3 2.40n/an/an/an/a7.022



Weizmann Institute of Science



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


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50033518
PNG
(1-Methyl-5-(3-phenyl-propylamino)-5,6,7,8-tetrahyd...)
Show SMILES Cn1c2CCCC(NCCCc3ccccc3)c2ccc1=O
Show InChI InChI=1S/C19H24N2O/c1-21-18-11-5-10-17(16(18)12-13-19(21)22)20-14-6-9-15-7-3-2-4-8-15/h2-4,7-8,12-13,17,20H,5-6,9-11,14H2,1H3
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n/an/a 4.84E+4n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Acetylcholinesterase inhibitory activity in rat striatal homogenates


J Med Chem 38: 3645-51 (1995)


Article DOI: 10.1021/jm00018a025
BindingDB Entry DOI: 10.7270/Q2X34Z3G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50033529
PNG
(1-Methyl-5-phenethylamino-5,6,7,8-tetrahydro-1H-qu...)
Show SMILES Cn1c2CCCC(NCCc3ccccc3)c2ccc1=O
Show InChI InChI=1S/C18H22N2O/c1-20-17-9-5-8-16(15(17)10-11-18(20)21)19-13-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,16,19H,5,8-9,12-13H2,1H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Acetylcholinesterase inhibitory activity in rat striatal homogenates


J Med Chem 38: 3645-51 (1995)


Article DOI: 10.1021/jm00018a025
BindingDB Entry DOI: 10.7270/Q2X34Z3G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10439
PNG
((5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1
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n/an/a 151n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50033503
PNG
(5-Phenethylamino-5,6,7,8-tetrahydro-1H-quinolin-2-...)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCc1ccccc1
Show InChI InChI=1S/C17H20N2O/c20-17-10-9-14-15(7-4-8-16(14)19-17)18-12-11-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,18H,4,7-8,11-12H2,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Acetylcholinesterase inhibitory activity in rat striatal homogenates


J Med Chem 38: 3645-51 (1995)


Article DOI: 10.1021/jm00018a025
BindingDB Entry DOI: 10.7270/Q2X34Z3G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50033498
PNG
(5-Benzylamino-1-methyl-5,6,7,8-tetrahydro-1H-quino...)
Show SMILES Cn1c2CCCC(NCc3ccccc3)c2ccc1=O
Show InChI InChI=1S/C17H20N2O/c1-19-16-9-5-8-15(14(16)10-11-17(19)20)18-12-13-6-3-2-4-7-13/h2-4,6-7,10-11,15,18H,5,8-9,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Acetylcholinesterase inhibitory activity in rat striatal homogenates


J Med Chem 38: 3645-51 (1995)


Article DOI: 10.1021/jm00018a025
BindingDB Entry DOI: 10.7270/Q2X34Z3G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10439
PNG
((5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1
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n/an/a 151n/an/an/an/a7.022



Weizmann Institute of Science



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


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50033504
PNG
(1-Methyl-5-(2-p-tolyl-ethylamino)-5,6,7,8-tetrahyd...)
Show SMILES Cc1ccc(CCNC2CCCc3c2ccc(=O)n3C)cc1
Show InChI InChI=1S/C19H24N2O/c1-14-6-8-15(9-7-14)12-13-20-17-4-3-5-18-16(17)10-11-19(22)21(18)2/h6-11,17,20H,3-5,12-13H2,1-2H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Acetylcholinesterase inhibitory activity in rat striatal homogenates


J Med Chem 38: 3645-51 (1995)


Article DOI: 10.1021/jm00018a025
BindingDB Entry DOI: 10.7270/Q2X34Z3G
More data for this
Ligand-Target Pair