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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'terry' and Initial = 'av'   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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98n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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248n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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320n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Wyeth

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 1274-89 (2005)


Article DOI: 10.1124/jpet.105.086363
BindingDB Entry DOI: 10.7270/Q2057DJ4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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 50n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199147
PNG
(CHEMBL3963904)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cc(cc(C2=O)c34)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H21N3O5S/c1-23(2)12-16-6-7-17(30-16)13-31-9-8-24-21(26)18-5-3-4-14-10-15(25(28)29)11-19(20(14)18)22(24)27/h3-7,10-11H,8-9,12-13H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199161
PNG
(CHEMBL3961411)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(c(C)c2[N+]([O-])=O)-c2ccccc2)o1
Show InChI InChI=1S/C21H25N5O3S/c1-15-19(16-7-5-4-6-8-16)23-24-21(20(15)26(27)28)22-11-12-30-14-18-10-9-17(29-18)13-25(2)3/h4-10H,11-14H2,1-3H3,(H,22,24)
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n/an/a 160n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199163
PNG
(CHEMBL3952735)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(-c3ccccc3)c(-c3ccccc3)c2[N+]([O-])=O)o1
Show InChI InChI=1S/C26H27N5O3S/c1-30(2)17-21-13-14-22(34-21)18-35-16-15-27-26-25(31(32)33)23(19-9-5-3-6-10-19)24(28-29-26)20-11-7-4-8-12-20/h3-14H,15-18H2,1-2H3,(H,27,29)
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n/an/a 190n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199148
PNG
(CHEMBL3917462)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(cc2[N+]([O-])=O)-c2ccccc2)o1
Show InChI InChI=1S/C20H23N5O3S/c1-24(2)13-16-8-9-17(28-16)14-29-11-10-21-20-19(25(26)27)12-18(22-23-20)15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,23)
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n/an/a 260n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199194
PNG
(CHEMBL3925028)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(-c3cccs3)c(-c3cccs3)c2[N+]([O-])=O)o1
Show InChI InChI=1S/C22H23N5O3S3/c1-26(2)13-15-7-8-16(30-15)14-31-12-9-23-22-21(27(28)29)19(17-5-3-10-32-17)20(24-25-22)18-6-4-11-33-18/h3-8,10-11H,9,12-14H2,1-2H3,(H,23,25)
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n/an/a 350n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199171
PNG
(CHEMBL3944527)
Show SMILES CN(C)Cc1ccc(CSCCNc2nncc(-c3ccccc3)c2[N+]([O-])=O)o1
Show InChI InChI=1S/C20H23N5O3S/c1-24(2)13-16-8-9-17(28-16)14-29-11-10-21-20-19(25(26)27)18(12-22-23-20)15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,23)
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n/an/a 460n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50004659
PNG
(CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1
Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)
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n/an/a 470n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199157
PNG
(CHEMBL3921095)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(C)cc2[N+]([O-])=O)o1
Show InChI InChI=1S/C15H21N5O3S/c1-11-8-14(20(21)22)15(18-17-11)16-6-7-24-10-13-5-4-12(23-13)9-19(2)3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,18)
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n/an/a 680n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199162
PNG
(CHEMBL3933927)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(C)c(-c3ccccc3)c2[N+]([O-])=O)o1
Show InChI InChI=1S/C21H25N5O3S/c1-15-19(16-7-5-4-6-8-16)20(26(27)28)21(24-23-15)22-11-12-30-14-18-10-9-17(29-18)13-25(2)3/h4-10H,11-14H2,1-3H3,(H,22,24)
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n/an/a 720n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199145
PNG
(CHEMBL3923597)
Show SMILES CN(C)Cc1ccc(CSCCN\C(N\N=C\c2ccccc2)=C\[N+]([O-])=O)o1
Show InChI InChI=1S/C19H25N5O3S/c1-23(2)13-17-8-9-18(27-17)15-28-11-10-20-19(14-24(25)26)22-21-12-16-6-4-3-5-7-16/h3-9,12,14,20,22H,10-11,13,15H2,1-2H3/b19-14-,21-12+
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n/an/a 1.18E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199170
PNG
(CHEMBL3979679)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cccc(C2=O)c34)o1
Show InChI InChI=1S/C22H22N2O3S/c1-23(2)13-16-9-10-17(27-16)14-28-12-11-24-21(25)18-7-3-5-15-6-4-8-19(20(15)18)22(24)26/h3-10H,11-14H2,1-2H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199169
PNG
(CHEMBL3928312)
Show SMILES CN(C)Cc1ccc(CSCCN2\C(NN=C(C)C2=C)=C\[N+]([O-])=O)o1 |t:15|
Show InChI InChI=1S/C16H23N5O3S/c1-12-13(2)20(16(18-17-12)10-21(22)23)7-8-25-11-15-6-5-14(24-15)9-19(3)4/h5-6,10,18H,2,7-9,11H2,1,3-4H3/b16-10+
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n/an/a 1.65E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199194
PNG
(CHEMBL3925028)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(-c3cccs3)c(-c3cccs3)c2[N+]([O-])=O)o1
Show InChI InChI=1S/C22H23N5O3S3/c1-26(2)13-15-7-8-16(30-15)14-31-12-9-23-22-21(27(28)29)19(17-5-3-10-32-17)20(24-25-22)18-6-4-11-33-18/h3-8,10-11H,9,12-14H2,1-2H3,(H,23,25)
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n/an/a 2.28E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199153
PNG
(CHEMBL3893982)
Show SMILES CCc1nnc(NCCSCc2ccc(CN(C)C)o2)c(c1CC)[N+]([O-])=O
Show InChI InChI=1S/C18H27N5O3S/c1-5-15-16(6-2)20-21-18(17(15)23(24)25)19-9-10-27-12-14-8-7-13(26-14)11-22(3)4/h7-8H,5-6,9-12H2,1-4H3,(H,19,21)
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n/an/a 2.54E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199160
PNG
(CHEMBL3964368)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(C)c(C)c2[N+]([O-])=O)o1
Show InChI InChI=1S/C16H23N5O3S/c1-11-12(2)18-19-16(15(11)21(22)23)17-7-8-25-10-14-6-5-13(24-14)9-20(3)4/h5-6H,7-10H2,1-4H3,(H,17,19)
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n/an/a 2.72E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199145
PNG
(CHEMBL3923597)
Show SMILES CN(C)Cc1ccc(CSCCN\C(N\N=C\c2ccccc2)=C\[N+]([O-])=O)o1
Show InChI InChI=1S/C19H25N5O3S/c1-23(2)13-17-8-9-18(27-17)15-28-11-10-20-19(14-24(25)26)22-21-12-16-6-4-3-5-7-16/h3-9,12,14,20,22H,10-11,13,15H2,1-2H3/b19-14-,21-12+
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n/an/a 2.96E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199158
PNG
(CHEMBL3971565)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C18H19N3O5S/c1-19(2)10-12-6-7-13(26-12)11-27-9-8-20-17(22)14-4-3-5-15(21(24)25)16(14)18(20)23/h3-7H,8-11H2,1-2H3
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n/an/a 3.34E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199155
PNG
(CHEMBL3966045)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3ccccc3C2=O)o1
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)11-13-7-8-14(23-13)12-24-10-9-20-17(21)15-5-3-4-6-16(15)18(20)22/h3-8H,9-12H2,1-2H3
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n/an/a 3.57E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199161
PNG
(CHEMBL3961411)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(c(C)c2[N+]([O-])=O)-c2ccccc2)o1
Show InChI InChI=1S/C21H25N5O3S/c1-15-19(16-7-5-4-6-8-16)23-24-21(20(15)26(27)28)22-11-12-30-14-18-10-9-17(29-18)13-25(2)3/h4-10H,11-14H2,1-3H3,(H,22,24)
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n/an/a 3.71E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199164
PNG
(CHEMBL3941167)
Show SMILES CN(C)Cc1ccc(CSCCN\C(=C\[N+]([O-])=O)N2CCCCC2)o1
Show InChI InChI=1S/C17H28N4O3S/c1-19(2)12-15-6-7-16(24-15)14-25-11-8-18-17(13-21(22)23)20-9-4-3-5-10-20/h6-7,13,18H,3-5,8-12,14H2,1-2H3/b17-13-
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n/an/a 4.04E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199148
PNG
(CHEMBL3917462)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(cc2[N+]([O-])=O)-c2ccccc2)o1
Show InChI InChI=1S/C20H23N5O3S/c1-24(2)13-16-8-9-17(28-16)14-29-11-10-21-20-19(25(26)27)12-18(22-23-20)15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,23)
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n/an/a 4.46E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199159
PNG
(CHEMBL3927243)
Show SMILES CN(C)Cc1ccc(CSCCNC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)o1
Show InChI InChI=1S/C24H27Cl2N3O2S/c1-29(2)15-18-10-11-19(31-18)16-32-13-12-27-23(30)14-17-6-3-4-9-22(17)28-24-20(25)7-5-8-21(24)26/h3-11,28H,12-16H2,1-2H3,(H,27,30)
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n/an/a 5.01E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199150
PNG
(CHEMBL3916017)
Show SMILES CN(C)Cc1ccc(CSCCNc2ncccc2C#N)o1
Show InChI InChI=1S/C16H20N4OS/c1-20(2)11-14-5-6-15(21-14)12-22-9-8-19-16-13(10-17)4-3-7-18-16/h3-7H,8-9,11-12H2,1-2H3,(H,18,19)
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n/an/a 5.34E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199163
PNG
(CHEMBL3952735)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(-c3ccccc3)c(-c3ccccc3)c2[N+]([O-])=O)o1
Show InChI InChI=1S/C26H27N5O3S/c1-30(2)17-21-13-14-22(34-21)18-35-16-15-27-26-25(31(32)33)23(19-9-5-3-6-10-19)24(28-29-26)20-11-7-4-8-12-20/h3-14H,15-18H2,1-2H3,(H,27,29)
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n/an/a 7.05E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199169
PNG
(CHEMBL3928312)
Show SMILES CN(C)Cc1ccc(CSCCN2\C(NN=C(C)C2=C)=C\[N+]([O-])=O)o1 |t:15|
Show InChI InChI=1S/C16H23N5O3S/c1-12-13(2)20(16(18-17-12)10-21(22)23)7-8-25-11-15-6-5-14(24-15)9-19(3)4/h5-6,10,18H,2,7-9,11H2,1,3-4H3/b16-10+
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199170
PNG
(CHEMBL3979679)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cccc(C2=O)c34)o1
Show InChI InChI=1S/C22H22N2O3S/c1-23(2)13-16-9-10-17(27-16)14-28-12-11-24-21(25)18-7-3-5-15-6-4-8-19(20(15)18)22(24)26/h3-10H,11-14H2,1-2H3
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n/an/a 7.21E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199144
PNG
(CHEMBL3963436)
Show SMILES CN(C)Cc1ccc(CSCCNc2ncccn2)o1
Show InChI InChI=1S/C14H20N4OS/c1-18(2)10-12-4-5-13(19-12)11-20-9-8-17-14-15-6-3-7-16-14/h3-7H,8-11H2,1-2H3,(H,15,16,17)
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n/an/a 7.65E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199159
PNG
(CHEMBL3927243)
Show SMILES CN(C)Cc1ccc(CSCCNC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)o1
Show InChI InChI=1S/C24H27Cl2N3O2S/c1-29(2)15-18-10-11-19(31-18)16-32-13-12-27-23(30)14-17-6-3-4-9-22(17)28-24-20(25)7-5-8-21(24)26/h3-11,28H,12-16H2,1-2H3,(H,27,30)
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n/an/a 7.65E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199147
PNG
(CHEMBL3963904)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cc(cc(C2=O)c34)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H21N3O5S/c1-23(2)12-16-6-7-17(30-16)13-31-9-8-24-21(26)18-5-3-4-14-10-15(25(28)29)11-19(20(14)18)22(24)27/h3-7,10-11H,8-9,12-13H2,1-2H3
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n/an/a 8.01E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199150
PNG
(CHEMBL3916017)
Show SMILES CN(C)Cc1ccc(CSCCNc2ncccc2C#N)o1
Show InChI InChI=1S/C16H20N4OS/c1-20(2)11-14-5-6-15(21-14)12-22-9-8-19-16-13(10-17)4-3-7-18-16/h3-7H,8-9,11-12H2,1-2H3,(H,18,19)
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n/an/a 8.36E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50004659
PNG
(CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1
Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199152
PNG
(CHEMBL3935020)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(Cl)nn2)o1
Show InChI InChI=1S/C14H19ClN4OS/c1-19(2)9-11-3-4-12(20-11)10-21-8-7-16-14-6-5-13(15)17-18-14/h3-6H,7-10H2,1-2H3,(H,16,18)
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199149
PNG
(CHEMBL3954887)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)CCC2=O)o1
Show InChI InChI=1S/C14H20N2O3S/c1-15(2)9-11-3-4-12(19-11)10-20-8-7-16-13(17)5-6-14(16)18/h3-4H,5-10H2,1-2H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199155
PNG
(CHEMBL3966045)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3ccccc3C2=O)o1
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)11-13-7-8-14(23-13)12-24-10-9-20-17(21)15-5-3-4-6-16(15)18(20)22/h3-8H,9-12H2,1-2H3
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199144
PNG
(CHEMBL3963436)
Show SMILES CN(C)Cc1ccc(CSCCNc2ncccn2)o1
Show InChI InChI=1S/C14H20N4OS/c1-18(2)10-12-4-5-13(19-12)11-20-9-8-17-14-15-6-3-7-16-14/h3-7H,8-11H2,1-2H3,(H,15,16,17)
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n/an/a 1.62E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199153
PNG
(CHEMBL3893982)
Show SMILES CCc1nnc(NCCSCc2ccc(CN(C)C)o2)c(c1CC)[N+]([O-])=O
Show InChI InChI=1S/C18H27N5O3S/c1-5-15-16(6-2)20-21-18(17(15)23(24)25)19-9-10-27-12-14-8-7-13(26-14)11-22(3)4/h7-8H,5-6,9-12H2,1-4H3,(H,19,21)
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n/an/a 1.88E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199164
PNG
(CHEMBL3941167)
Show SMILES CN(C)Cc1ccc(CSCCN\C(=C\[N+]([O-])=O)N2CCCCC2)o1
Show InChI InChI=1S/C17H28N4O3S/c1-19(2)12-15-6-7-16(24-15)14-25-11-8-18-17(13-21(22)23)20-9-4-3-5-10-20/h6-7,13,18H,3-5,8-12,14H2,1-2H3/b17-13-
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n/an/a 2.12E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199171
PNG
(CHEMBL3944527)
Show SMILES CN(C)Cc1ccc(CSCCNc2nncc(-c3ccccc3)c2[N+]([O-])=O)o1
Show InChI InChI=1S/C20H23N5O3S/c1-24(2)13-16-8-9-17(28-16)14-29-11-10-21-20-19(25(26)27)18(12-22-23-20)15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,23)
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n/an/a 2.27E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199157
PNG
(CHEMBL3921095)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(C)cc2[N+]([O-])=O)o1
Show InChI InChI=1S/C15H21N5O3S/c1-11-8-14(20(21)22)15(18-17-11)16-6-7-24-10-13-5-4-12(23-13)9-19(2)3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,18)
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n/an/a 2.84E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199146
PNG
(CHEMBL3936203)
Show SMILES CC1CC(=O)N(CCSCc2ccc(CN(C)C)o2)C1=O
Show InChI InChI=1S/C15H22N2O3S/c1-11-8-14(18)17(15(11)19)6-7-21-10-13-5-4-12(20-13)9-16(2)3/h4-5,11H,6-10H2,1-3H3
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n/an/a 3.34E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199167
PNG
(CHEMBL3912004)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C18H19N3O5S/c1-19(2)10-13-4-5-14(26-13)11-27-8-7-20-17(22)15-6-3-12(21(24)25)9-16(15)18(20)23/h3-6,9H,7-8,10-11H2,1-2H3
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50199165
PNG
(CHEMBL3937312)
Show SMILES CN(C)Cc1ccc(CSCCNS(=O)(=O)c2ccc(C)cc2)o1
Show InChI InChI=1S/C17H24N2O3S2/c1-14-4-8-17(9-5-14)24(20,21)18-10-11-23-13-16-7-6-15(22-16)12-19(2)3/h4-9,18H,10-13H2,1-3H3
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n/an/a 4.72E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199151
PNG
(CHEMBL3926121)
Show SMILES CN(C)Cc1ccc(CSCCNc2nc(N)n[nH]2)o1
Show InChI InChI=1S/C12H20N6OS/c1-18(2)7-9-3-4-10(19-9)8-20-6-5-14-12-15-11(13)16-17-12/h3-4H,5-8H2,1-2H3,(H4,13,14,15,16,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199156
PNG
(CHEMBL3937756)
Show SMILES CN(C)Cc1ccc(CSCCNC(=O)c2ccccc2Nc2cccc(C)c2C)o1
Show InChI InChI=1S/C25H31N3O2S/c1-18-8-7-11-23(19(18)2)27-24-10-6-5-9-22(24)25(29)26-14-15-31-17-21-13-12-20(30-21)16-28(3)4/h5-13,27H,14-17H2,1-4H3,(H,26,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
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