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9 similar compounds to monomer 50204836

Compile data set for download or QSAR
Wt: 384.4
BDBM50204849
Wt: 406.5
BDBM50204852
Wt: 374.4
BDBM50204854
Wt: 470.5
BDBM50204855
Wt: 360.4
BDBM50204857
Wt: 439.3
BDBM50204841
Wt: 390.4
BDBM50204842
Wt: 446.9
BDBM50204843
Wt: 420.5
BDBM50204844

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50204849,50204852,50204854,50204855,50204857,50204841,50204842,50204843,50204844   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50204841
PNG
(CHEMBL3955170)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc(Br)c1
Show InChI InChI=1S/C22H23BrN4O/c1-2-6-16-18-17(12-7-5-8-13(23)11-12)19-20(24)14-9-3-4-10-15(14)25-21(19)28-22(18)27-26-16/h5,7-8,11,17H,2-4,6,9-10H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204843
PNG
(CHEMBL3940675)
Show SMILES Nc1c2CSCCc2nc2Oc3[nH]nc(c3C(c3ccc(Cl)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C24H19ClN4OS/c25-15-8-6-13(7-9-15)18-19-21(26)16-12-31-11-10-17(16)27-23(19)30-24-20(18)22(28-29-24)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H2,26,27)(H,28,29)
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Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204843
PNG
(CHEMBL3940675)
Show SMILES Nc1c2CSCCc2nc2Oc3[nH]nc(c3C(c3ccc(Cl)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C24H19ClN4OS/c25-15-8-6-13(7-9-15)18-19-21(26)16-12-31-11-10-17(16)27-23(19)30-24-20(18)22(28-29-24)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H2,26,27)(H,28,29)
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n/an/a 450n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204844
PNG
(CHEMBL3954267)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H28N4O3/c1-4-7-16-20-19(13-10-11-17(29-2)18(12-13)30-3)21-22(25)14-8-5-6-9-15(14)26-23(21)31-24(20)28-27-16/h10-12,19H,4-9H2,1-3H3,(H2,25,26)(H,27,28)
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n/an/a 1.47E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204849
PNG
(CHEMBL3912680)
Show SMILES Nc1c2CCCCc2nc2Oc3[nH]nc(-c4ccco4)c3C(c3ccccc3)c12
Show InChI InChI=1S/C23H20N4O2/c24-20-14-9-4-5-10-15(14)25-22-18(20)17(13-7-2-1-3-8-13)19-21(16-11-6-12-28-16)26-27-23(19)29-22/h1-3,6-8,11-12,17H,4-5,9-10H2,(H2,24,25)(H,26,27)
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n/an/a 100n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204841
PNG
(CHEMBL3955170)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc(Br)c1
Show InChI InChI=1S/C22H23BrN4O/c1-2-6-16-18-17(12-7-5-8-13(23)11-12)19-20(24)14-9-3-4-10-15(14)25-21(19)28-22(18)27-26-16/h5,7-8,11,17H,2-4,6,9-10H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 472n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204852
PNG
(CHEMBL3982934)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(SC)cc1
Show InChI InChI=1S/C23H26N4OS/c1-3-6-17-19-18(13-9-11-14(29-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)28-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204854
PNG
(CHEMBL3929352)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCCc4c(N)c3C(c12)c1ccccc1
Show InChI InChI=1S/C23H26N4O/c1-2-9-17-19-18(14-10-5-3-6-11-14)20-21(24)15-12-7-4-8-13-16(15)25-22(20)28-23(19)27-26-17/h3,5-6,10-11,18H,2,4,7-9,12-13H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 650n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204855
PNG
(CHEMBL3920929)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4)c12)c(nn3-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N4O/c32-28-23-18-10-11-19-24(23)33-30-26(28)25(20-12-4-1-5-13-20)27-29(21-14-6-2-7-15-21)34-35(31(27)36-30)22-16-8-3-9-17-22/h1-9,12-17,25H,10-11,18-19H2,(H2,32,33)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204857
PNG
(CHEMBL3922713)
Show SMILES CC(C)C1c2c(Oc3nc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-12(2)16-17-19(23)14-10-6-7-11-15(14)24-21(17)27-22-18(16)20(25-26-22)13-8-4-3-5-9-13/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3,(H2,23,24)(H,25,26)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204844
PNG
(CHEMBL3954267)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H28N4O3/c1-4-7-16-20-19(13-10-11-17(29-2)18(12-13)30-3)21-22(25)14-8-5-6-9-15(14)26-23(21)31-24(20)28-27-16/h10-12,19H,4-9H2,1-3H3,(H2,25,26)(H,27,28)
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n/an/a 365n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204849
PNG
(CHEMBL3912680)
Show SMILES Nc1c2CCCCc2nc2Oc3[nH]nc(-c4ccco4)c3C(c3ccccc3)c12
Show InChI InChI=1S/C23H20N4O2/c24-20-14-9-4-5-10-15(14)25-22-18(20)17(13-7-2-1-3-8-13)19-21(16-11-6-12-28-16)26-27-23(19)29-22/h1-3,6-8,11-12,17H,4-5,9-10H2,(H2,24,25)(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204854
PNG
(CHEMBL3929352)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCCc4c(N)c3C(c12)c1ccccc1
Show InChI InChI=1S/C23H26N4O/c1-2-9-17-19-18(14-10-5-3-6-11-14)20-21(24)15-12-7-4-8-13-16(15)25-22(20)28-23(19)27-26-17/h3,5-6,10-11,18H,2,4,7-9,12-13H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 43n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204855
PNG
(CHEMBL3920929)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4)c12)c(nn3-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N4O/c32-28-23-18-10-11-19-24(23)33-30-26(28)25(20-12-4-1-5-13-20)27-29(21-14-6-2-7-15-21)34-35(31(27)36-30)22-16-8-3-9-17-22/h1-9,12-17,25H,10-11,18-19H2,(H2,32,33)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204857
PNG
(CHEMBL3922713)
Show SMILES CC(C)C1c2c(Oc3nc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-12(2)16-17-19(23)14-10-6-7-11-15(14)24-21(17)27-22-18(16)20(25-26-22)13-8-4-3-5-9-13/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3,(H2,23,24)(H,25,26)
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n/an/a 570n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204852
PNG
(CHEMBL3982934)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(SC)cc1
Show InChI InChI=1S/C23H26N4OS/c1-3-6-17-19-18(13-9-11-14(29-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)28-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)
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n/an/a 201n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204842
PNG
(CHEMBL3927698)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N4O2/c1-3-6-17-19-18(13-9-11-14(28-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)29-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)
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n/an/a 52n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204842
PNG
(CHEMBL3927698)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N4O2/c1-3-6-17-19-18(13-9-11-14(28-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)29-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair