BindingDB logo
myBDB logout

PubMed code 22630076

Compile data set for download or QSAR
Found 38 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


(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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50022775
PNG
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241985
PNG
(4-[5-(2,4-Dichlorophenoxymethyl)-1,3,4-thiadiazol-...)
Show SMILES Oc1ccc(-c2nnc(COc3ccc(Cl)cc3Cl)s2)c(O)c1
Show InChI InChI=1S/C15H10Cl2N2O3S/c16-8-1-4-13(11(17)5-8)22-7-14-18-19-15(23-14)10-3-2-9(20)6-12(10)21/h1-6,20-21H,7H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241978
PNG
(4-(5-Heptyl-1,3,4-thiadiazol-2-yl)benzene-1,3-diol...)
Show SMILES CCCCCCCc1nnc(s1)-c1ccc(O)cc1O
Show InChI InChI=1S/C15H20N2O2S/c1-2-3-4-5-6-7-14-16-17-15(20-14)12-9-8-11(18)10-13(12)19/h8-10,18-19H,2-7H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50022775
PNG
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241983
PNG
(4-(5-{4-[5-(2,4-Dihydroxyphenyl)-1,3,4-thiadiazol-...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc(cc2)-c2nnc(s2)-c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C22H14N4O4S2/c27-13-5-7-15(17(29)9-13)21-25-23-19(31-21)11-1-2-12(4-3-11)20-24-26-22(32-20)16-8-6-14(28)10-18(16)30/h1-10,27-30H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241990
PNG
(4-Chloro-6-(5-(4-fluorophenylamino)-1,3,4-thiadiaz...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1nnc(Nc2ccc(F)cc2)s1
Show InChI InChI=1S/C14H9ClFN3O2S/c15-10-5-9(11(20)6-12(10)21)13-18-19-14(22-13)17-8-3-1-7(16)2-4-8/h1-6,20-21H,(H,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 105n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241977
PNG
(4-(5-Propyl-1,3,4-thiadiazol-2-yl)benzene-1,3-diol...)
Show SMILES CCCc1nnc(s1)-c1ccc(O)cc1O
Show InChI InChI=1S/C11H12N2O2S/c1-2-3-10-12-13-11(16-10)8-5-4-7(14)6-9(8)15/h4-6,14-15H,2-3H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 109n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241988
PNG
(4-{5-[5-(4-Bromophenyl)thiophen-2-yl]-1,3,4-thiadi...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc(s2)-c2ccc(Br)cc2)c(O)c1
Show InChI InChI=1S/C18H11BrN2O2S2/c19-11-3-1-10(2-4-11)15-7-8-16(24-15)18-21-20-17(25-18)13-6-5-12(22)9-14(13)23/h1-9,22-23H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 125n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241990
PNG
(4-Chloro-6-(5-(4-fluorophenylamino)-1,3,4-thiadiaz...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1nnc(Nc2ccc(F)cc2)s1
Show InChI InChI=1S/C14H9ClFN3O2S/c15-10-5-9(11(20)6-12(10)21)13-18-19-14(22-13)17-8-3-1-7(16)2-4-8/h1-6,20-21H,(H,17,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 143n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241981
PNG
(4,4'-[5,5'-Methylenedi-(1,3,4-thiadiazole-...)
Show SMILES Oc1ccc(-c2nnc(Cc3nnc(s3)-c3ccc(O)cc3O)s2)c(O)c1
Show InChI InChI=1S/C17H12N4O4S2/c22-8-1-3-10(12(24)5-8)16-20-18-14(26-16)7-15-19-21-17(27-15)11-4-2-9(23)6-13(11)25/h1-6,22-25H,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 184n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241980
PNG
(4-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc3OCOc3c2)c(O)c1
Show InChI InChI=1S/C15H10N2O4S/c18-9-2-3-10(11(19)6-9)15-17-16-14(22-15)8-1-4-12-13(5-8)21-7-20-12/h1-6,18-19H,7H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241978
PNG
(4-(5-Heptyl-1,3,4-thiadiazol-2-yl)benzene-1,3-diol...)
Show SMILES CCCCCCCc1nnc(s1)-c1ccc(O)cc1O
Show InChI InChI=1S/C15H20N2O2S/c1-2-3-4-5-6-7-14-16-17-15(20-14)12-9-8-11(18)10-13(12)19/h8-10,18-19H,2-7H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241981
PNG
(4,4'-[5,5'-Methylenedi-(1,3,4-thiadiazole-...)
Show SMILES Oc1ccc(-c2nnc(Cc3nnc(s3)-c3ccc(O)cc3O)s2)c(O)c1
Show InChI InChI=1S/C17H12N4O4S2/c22-8-1-3-10(12(24)5-8)16-20-18-14(26-16)7-15-19-21-17(27-15)11-4-2-9(23)6-13(11)25/h1-6,22-25H,7H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241992
PNG
(4-Chloro-6-(5-(3,4-dihydroxyphenyl)-1,3,4-thiadiaz...)
Show SMILES Oc1ccc(cc1O)-c1nnc(s1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C14H9ClN2O4S/c15-8-4-7(10(19)5-11(8)20)14-17-16-13(22-14)6-1-2-9(18)12(21)3-6/h1-5,18-21H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.27E+3n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241984
PNG
(4-(5-(4-(Trifluoromethyl)phenylamino)-1,3,4-thiadi...)
Show SMILES Oc1ccc(-c2nnc(Nc3ccc(cc3)C(F)(F)F)s2)c(O)c1
Show InChI InChI=1S/C15H10F3N3O2S/c16-15(17,18)8-1-3-9(4-2-8)19-14-21-20-13(24-14)11-6-5-10(22)7-12(11)23/h1-7,22-23H,(H,19,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.32E+3n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241991
PNG
(4-Chloro-6-(5-(3-chlorophenylamino)-1,3,4-thiadiaz...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1nnc(Nc2cccc(Cl)c2)s1
Show InChI InChI=1S/C14H9Cl2N3O2S/c15-7-2-1-3-8(4-7)17-14-19-18-13(22-14)9-5-10(16)12(21)6-11(9)20/h1-6,20-21H,(H,17,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.68E+3n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241982
PNG
(4,4'-{[5,5'-(Ethane-1,2-diyl)]di(1,3,4-thi...)
Show SMILES Oc1ccc(-c2nnc(CCc3nnc(s3)-c3ccc(O)cc3O)s2)c(O)c1
Show InChI InChI=1S/C18H14N4O4S2/c23-9-1-3-11(13(25)7-9)17-21-19-15(27-17)5-6-16-20-22-18(28-16)12-4-2-10(24)8-14(12)26/h1-4,7-8,23-26H,5-6H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.11E+3n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241984
PNG
(4-(5-(4-(Trifluoromethyl)phenylamino)-1,3,4-thiadi...)
Show SMILES Oc1ccc(-c2nnc(Nc3ccc(cc3)C(F)(F)F)s2)c(O)c1
Show InChI InChI=1S/C15H10F3N3O2S/c16-15(17,18)8-1-3-9(4-2-8)19-14-21-20-13(24-14)11-6-5-10(22)7-12(11)23/h1-7,22-23H,(H,19,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.24E+3n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.52E+3n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241982
PNG
(4,4'-{[5,5'-(Ethane-1,2-diyl)]di(1,3,4-thi...)
Show SMILES Oc1ccc(-c2nnc(CCc3nnc(s3)-c3ccc(O)cc3O)s2)c(O)c1
Show InChI InChI=1S/C18H14N4O4S2/c23-9-1-3-11(13(25)7-9)17-21-19-15(27-17)5-6-16-20-22-18(28-16)12-4-2-10(24)8-14(12)26/h1-4,7-8,23-26H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.43E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241983
PNG
(4-(5-{4-[5-(2,4-Dihydroxyphenyl)-1,3,4-thiadiazol-...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc(cc2)-c2nnc(s2)-c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C22H14N4O4S2/c27-13-5-7-15(17(29)9-13)21-25-23-19(31-21)11-1-2-12(4-3-11)20-24-26-22(32-20)16-8-6-14(28)10-18(16)30/h1-10,27-30H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.52E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241989
PNG
(4-(5-Benzyl-1,3,4-thiadiazol-2-yl)-6-chlorobenzene...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1nnc(Cc2ccccc2)s1
Show InChI InChI=1S/C15H11ClN2O2S/c16-11-7-10(12(19)8-13(11)20)15-18-17-14(21-15)6-9-4-2-1-3-5-9/h1-5,7-8,19-20H,6H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241977
PNG
(4-(5-Propyl-1,3,4-thiadiazol-2-yl)benzene-1,3-diol...)
Show SMILES CCCc1nnc(s1)-c1ccc(O)cc1O
Show InChI InChI=1S/C11H12N2O2S/c1-2-3-10-12-13-11(16-10)8-5-4-7(14)6-9(8)15/h4-6,14-15H,2-3H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.82E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241988
PNG
(4-{5-[5-(4-Bromophenyl)thiophen-2-yl]-1,3,4-thiadi...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc(s2)-c2ccc(Br)cc2)c(O)c1
Show InChI InChI=1S/C18H11BrN2O2S2/c19-11-3-1-10(2-4-11)15-7-8-16(24-15)18-21-20-17(25-18)13-6-5-12(22)9-14(13)23/h1-9,22-23H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.86E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241980
PNG
(4-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc3OCOc3c2)c(O)c1
Show InChI InChI=1S/C15H10N2O4S/c18-9-2-3-10(11(19)6-9)15-17-16-14(22-15)8-1-4-12-13(5-8)21-7-20-12/h1-6,18-19H,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241992
PNG
(4-Chloro-6-(5-(3,4-dihydroxyphenyl)-1,3,4-thiadiaz...)
Show SMILES Oc1ccc(cc1O)-c1nnc(s1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C14H9ClN2O4S/c15-8-4-7(10(19)5-11(8)20)14-17-16-13(22-14)6-1-2-9(18)12(21)3-6/h1-5,18-21H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.52E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241987
PNG
(4-{5-[5-(4-Fluorophenyl)thiophen-2-yl]-1,3,4-thiad...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc(s2)-c2ccc(F)cc2)c(O)c1
Show InChI InChI=1S/C18H11FN2O2S2/c19-11-3-1-10(2-4-11)15-7-8-16(24-15)18-21-20-17(25-18)13-6-5-12(22)9-14(13)23/h1-9,22-23H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.72E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241989
PNG
(4-(5-Benzyl-1,3,4-thiadiazol-2-yl)-6-chlorobenzene...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1nnc(Cc2ccccc2)s1
Show InChI InChI=1S/C15H11ClN2O2S/c16-11-7-10(12(19)8-13(11)20)15-18-17-14(21-15)6-9-4-2-1-3-5-9/h1-5,7-8,19-20H,6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.42E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241986
PNG
(4-{5-[5-(4-Bromophenyl)-1,2-oxazol-3-yl]-1,3,4-thi...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2cc(on2)-c2ccc(Br)cc2)c(O)c1
Show InChI InChI=1S/C17H10BrN3O3S/c18-10-3-1-9(2-4-10)15-8-13(21-24-15)17-20-19-16(25-17)12-6-5-11(22)7-14(12)23/h1-8,22-23H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.52E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241985
PNG
(4-[5-(2,4-Dichlorophenoxymethyl)-1,3,4-thiadiazol-...)
Show SMILES Oc1ccc(-c2nnc(COc3ccc(Cl)cc3Cl)s2)c(O)c1
Show InChI InChI=1S/C15H10Cl2N2O3S/c16-8-1-4-13(11(17)5-8)22-7-14-18-19-15(23-14)10-3-2-9(20)6-12(10)21/h1-6,20-21H,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.02E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241986
PNG
(4-{5-[5-(4-Bromophenyl)-1,2-oxazol-3-yl]-1,3,4-thi...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2cc(on2)-c2ccc(Br)cc2)c(O)c1
Show InChI InChI=1S/C17H10BrN3O3S/c18-10-3-1-9(2-4-10)15-8-13(21-24-15)17-20-19-16(25-17)12-6-5-11(22)7-14(12)23/h1-8,22-23H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.93E+5n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241993
PNG
(3-{5-[4-(Dimethylamino)phenyl]-1,3,4-thiadiazol-2-...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(s1)-c1c(O)cc(O)c(-c2cc(O)cc(O)c2)c1O
Show InChI InChI=1S/C22H19N3O5S/c1-25(2)13-5-3-11(4-6-13)21-23-24-22(31-21)19-17(29)10-16(28)18(20(19)30)12-7-14(26)9-15(27)8-12/h3-10,26-30H,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241987
PNG
(4-{5-[5-(4-Fluorophenyl)thiophen-2-yl]-1,3,4-thiad...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc(s2)-c2ccc(F)cc2)c(O)c1
Show InChI InChI=1S/C18H11FN2O2S2/c19-11-3-1-10(2-4-11)15-7-8-16(24-15)18-21-20-17(25-18)13-6-5-12(22)9-14(13)23/h1-9,22-23H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241991
PNG
(4-Chloro-6-(5-(3-chlorophenylamino)-1,3,4-thiadiaz...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1nnc(Nc2cccc(Cl)c2)s1
Show InChI InChI=1S/C14H9Cl2N3O2S/c15-7-2-1-3-8(4-7)17-14-19-18-13(22-14)9-5-10(16)12(21)6-11(9)20/h1-6,20-21H,(H,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241979
PNG
(4-[5-(Naphthalen-2-yl)-1,3,4-thiadiazol-2-yl]benze...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc3ccccc3c2)c(O)c1
Show InChI InChI=1S/C18H12N2O2S/c21-14-7-8-15(16(22)10-14)18-20-19-17(23-18)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,21-22H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241979
PNG
(4-[5-(Naphthalen-2-yl)-1,3,4-thiadiazol-2-yl]benze...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc3ccccc3c2)c(O)c1
Show InChI InChI=1S/C18H12N2O2S/c21-14-7-8-15(16(22)10-14)18-20-19-17(23-18)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,21-22H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241993
PNG
(3-{5-[4-(Dimethylamino)phenyl]-1,3,4-thiadiazol-2-...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(s1)-c1c(O)cc(O)c(-c2cc(O)cc(O)c2)c1O
Show InChI InChI=1S/C22H19N3O5S/c1-25(2)13-5-3-11(4-6-13)21-23-24-22(31-21)19-17(29)10-16(28)18(20(19)30)12-7-14(26)9-15(27)8-12/h3-10,26-30H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%