BindingDB logo
myBDB logout

PubMed code 27750058

Compile data set for download or QSAR
Found 46 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 30n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198155
PNG
(2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=NC1c1ccccc1 |c:3,19|
Show InChI InChI=1S/C21H21N3O2S/c1-14-19(15(2)25)20(16-9-5-3-6-10-16)24-21(22-14)27-13-18(26)23-17-11-7-4-8-12-17/h3-12,20H,13H2,1-2H3,(H,22,24)(H,23,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198158
PNG
(2-(5-Acetyl-4-(4-(benzyloxy)phenyl)-6-methyl-1,4-d...)
Show SMILES CC(=O)C1=C(C)NC(Sc2ccccc2CC(N)=O)=NC1c1ccc(OCc2ccccc2)cc1 |c:3,19|
Show InChI InChI=1S/C28H27N3O3S/c1-18-26(19(2)32)27(21-12-14-23(15-13-21)34-17-20-8-4-3-5-9-20)31-28(30-18)35-24-11-7-6-10-22(24)16-25(29)33/h3-15,27H,16-17H2,1-2H3,(H2,29,33)(H,30,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198166
PNG
(2-(5-Acetyl-4-(4-(benzyloxy)phenyl)-6-methyl-1,4-d...)
Show SMILES CC(=O)C1=C(C)NC(Nc2ccccc2CC(N)=O)=NC1c1ccc(OCc2ccccc2)cc1 |c:3,19|
Show InChI InChI=1S/C28H28N4O3/c1-18-26(19(2)33)27(21-12-14-23(15-13-21)35-17-20-8-4-3-5-9-20)32-28(30-18)31-24-11-7-6-10-22(24)16-25(29)34/h3-15,27H,16-17H2,1-2H3,(H2,29,34)(H2,30,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198160
PNG
(2-(5-Acetyl-4-(4-chlorophenyl)-6-methyl-1,4-dihydr...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Cl)cc1 |c:3,20|
Show InChI InChI=1S/C22H22ClN3O2S/c1-13-4-10-18(11-5-13)25-19(28)12-29-22-24-14(2)20(15(3)27)21(26-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,24,26)(H,25,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198159
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Br)cc1 |c:3,20|
Show InChI InChI=1S/C22H22BrN3O2S/c1-13-4-10-18(11-5-13)25-19(28)12-29-22-24-14(2)20(15(3)27)21(26-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,24,26)(H,25,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198156
PNG
(2-((5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidi...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=NC1c1ccccc1 |c:3,20|
Show InChI InChI=1S/C21H20ClN3O2S/c1-13-19(14(2)26)20(15-6-4-3-5-7-15)25-21(23-13)28-12-18(27)24-17-10-8-16(22)9-11-17/h3-11,20H,12H2,1-2H3,(H,23,25)(H,24,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.97E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198161
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(Nc2cc(Cl)ccc2CC(N)=O)=NC1c1ccc(Br)cc1 |c:3,20|
Show InChI InChI=1S/C21H20BrClN4O2/c1-11-19(12(2)28)20(13-3-6-15(22)7-4-13)27-21(25-11)26-17-10-16(23)8-5-14(17)9-18(24)29/h3-8,10,20H,9H2,1-2H3,(H2,24,29)(H2,25,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.01E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198164
PNG
(2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(Cl)cc2)=NC1c1ccccc1 |c:3,20|
Show InChI InChI=1S/C21H21ClN4O2/c1-13-19(14(2)27)20(15-6-4-3-5-7-15)26-21(24-13)23-12-18(28)25-17-10-8-16(22)9-11-17/h3-11,20H,12H2,1-2H3,(H,25,28)(H2,23,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.01E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198155
PNG
(2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=NC1c1ccccc1 |c:3,19|
Show InChI InChI=1S/C21H21N3O2S/c1-14-19(15(2)25)20(16-9-5-3-6-10-16)24-21(22-14)27-13-18(26)23-17-11-7-4-8-12-17/h3-12,20H,13H2,1-2H3,(H,22,24)(H,23,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.37E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198168
PNG
(2-(5-Acetyl-4-(4-chlorophenyl)-6-methyl-1,4-dihydr...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Cl)cc1 |c:3,20|
Show InChI InChI=1S/C22H23ClN4O2/c1-13-4-10-18(11-5-13)26-19(29)12-24-22-25-14(2)20(15(3)28)21(27-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,26,29)(H2,24,25,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.08E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198167
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Br)cc1 |c:3,20|
Show InChI InChI=1S/C22H23BrN4O2/c1-13-4-10-18(11-5-13)26-19(29)12-24-22-25-14(2)20(15(3)28)21(27-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,26,29)(H2,24,25,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.13E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.00E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198161
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(Nc2cc(Cl)ccc2CC(N)=O)=NC1c1ccc(Br)cc1 |c:3,20|
Show InChI InChI=1S/C21H20BrClN4O2/c1-11-19(12(2)28)20(13-3-6-15(22)7-4-13)27-21(25-11)26-17-10-16(23)8-5-14(17)9-18(24)29/h3-8,10,20H,9H2,1-2H3,(H2,24,29)(H2,25,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.96E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198163
PNG
(2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccccc2)=NC1c1ccccc1 |c:3,19|
Show InChI InChI=1S/C21H22N4O2/c1-14-19(15(2)26)20(16-9-5-3-6-10-16)25-21(23-14)22-13-18(27)24-17-11-7-4-8-12-17/h3-12,20H,13H2,1-2H3,(H,24,27)(H2,22,23,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.33E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
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 5.40E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198158
PNG
(2-(5-Acetyl-4-(4-(benzyloxy)phenyl)-6-methyl-1,4-d...)
Show SMILES CC(=O)C1=C(C)NC(Sc2ccccc2CC(N)=O)=NC1c1ccc(OCc2ccccc2)cc1 |c:3,19|
Show InChI InChI=1S/C28H27N3O3S/c1-18-26(19(2)32)27(21-12-14-23(15-13-21)34-17-20-8-4-3-5-9-20)31-28(30-18)35-24-11-7-6-10-22(24)16-25(29)33/h3-15,27H,16-17H2,1-2H3,(H2,29,33)(H,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.69E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198162
PNG
(2-(5-Acetyl-6-methyl-4-p-tolyl-1,4-dihydropyrimidi...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(C)cc1 |c:3,20|
Show InChI InChI=1S/C23H25N3O2S/c1-14-5-9-18(10-6-14)22-21(17(4)27)16(3)24-23(26-22)29-13-20(28)25-19-11-7-15(2)8-12-19/h5-12,22H,13H2,1-4H3,(H,24,26)(H,25,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.63E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198170
PNG
(2-(5-Acetyl-6-methyl-4-p-tolyl-1,4-dihydropyrimidi...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(C)cc1 |c:3,20|
Show InChI InChI=1S/C23H26N4O2/c1-14-5-9-18(10-6-14)22-21(17(4)28)16(3)25-23(27-22)24-13-20(29)26-19-11-7-15(2)8-12-19/h5-12,22H,13H2,1-4H3,(H,26,29)(H2,24,25,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.87E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198157
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=NC1c1ccc(Br)cc1 |c:3,19|
Show InChI InChI=1S/C21H20BrN3O2S/c1-13-19(14(2)26)20(15-8-10-16(22)11-9-15)25-21(23-13)28-12-18(27)24-17-6-4-3-5-7-17/h3-11,20H,12H2,1-2H3,(H,23,25)(H,24,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.23E+3n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198165
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccccc2)=NC1c1ccc(Br)cc1 |c:3,19|
Show InChI InChI=1S/C21H21BrN4O2/c1-13-19(14(2)27)20(15-8-10-16(22)11-9-15)26-21(24-13)23-12-18(28)25-17-6-4-3-5-7-17/h3-11,20H,12H2,1-2H3,(H,25,28)(H2,23,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.29E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.50E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198163
PNG
(2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccccc2)=NC1c1ccccc1 |c:3,19|
Show InChI InChI=1S/C21H22N4O2/c1-14-19(15(2)26)20(16-9-5-3-6-10-16)25-21(23-14)22-13-18(27)24-17-11-7-4-8-12-17/h3-12,20H,13H2,1-2H3,(H,24,27)(H2,22,23,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198156
PNG
(2-((5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidi...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=NC1c1ccccc1 |c:3,20|
Show InChI InChI=1S/C21H20ClN3O2S/c1-13-19(14(2)26)20(15-6-4-3-5-7-15)25-21(23-13)28-12-18(27)24-17-10-8-16(22)9-11-17/h3-11,20H,12H2,1-2H3,(H,23,25)(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.64E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198161
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(Nc2cc(Cl)ccc2CC(N)=O)=NC1c1ccc(Br)cc1 |c:3,20|
Show InChI InChI=1S/C21H20BrClN4O2/c1-11-19(12(2)28)20(13-3-6-15(22)7-4-13)27-21(25-11)26-17-10-16(23)8-5-14(17)9-18(24)29/h3-8,10,20H,9H2,1-2H3,(H2,24,29)(H2,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.68E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198166
PNG
(2-(5-Acetyl-4-(4-(benzyloxy)phenyl)-6-methyl-1,4-d...)
Show SMILES CC(=O)C1=C(C)NC(Nc2ccccc2CC(N)=O)=NC1c1ccc(OCc2ccccc2)cc1 |c:3,19|
Show InChI InChI=1S/C28H28N4O3/c1-18-26(19(2)33)27(21-12-14-23(15-13-21)35-17-20-8-4-3-5-9-20)32-28(30-18)31-24-11-7-6-10-22(24)16-25(29)34/h3-15,27H,16-17H2,1-2H3,(H2,29,34)(H2,30,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.84E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198167
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Br)cc1 |c:3,20|
Show InChI InChI=1S/C22H23BrN4O2/c1-13-4-10-18(11-5-13)26-19(29)12-24-22-25-14(2)20(15(3)28)21(27-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,26,29)(H2,24,25,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.09E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198157
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=NC1c1ccc(Br)cc1 |c:3,19|
Show InChI InChI=1S/C21H20BrN3O2S/c1-13-19(14(2)26)20(15-8-10-16(22)11-9-15)25-21(23-13)28-12-18(27)24-17-6-4-3-5-7-17/h3-11,20H,12H2,1-2H3,(H,23,25)(H,24,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.45E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198168
PNG
(2-(5-Acetyl-4-(4-chlorophenyl)-6-methyl-1,4-dihydr...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Cl)cc1 |c:3,20|
Show InChI InChI=1S/C22H23ClN4O2/c1-13-4-10-18(11-5-13)26-19(29)12-24-22-25-14(2)20(15(3)28)21(27-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,26,29)(H2,24,25,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.64E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198164
PNG
(2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(Cl)cc2)=NC1c1ccccc1 |c:3,20|
Show InChI InChI=1S/C21H21ClN4O2/c1-13-19(14(2)27)20(15-6-4-3-5-7-15)26-21(24-13)23-12-18(28)25-17-10-8-16(22)9-11-17/h3-11,20H,12H2,1-2H3,(H,25,28)(H2,23,24,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.72E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198147
PNG
(1-(4-(4-(Benzyloxy)phenyl)-6-methyl-2-thioxo-3,4-t...)
Show SMILES CC(=O)C1=C(C)NC(=S)NC1c1ccc(OCc2ccccc2)cc1 |c:3|
Show InChI InChI=1S/C20H20N2O2S/c1-13-18(14(2)23)19(22-20(25)21-13)16-8-10-17(11-9-16)24-12-15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3,(H2,21,22,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.81E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198170
PNG
(2-(5-Acetyl-6-methyl-4-p-tolyl-1,4-dihydropyrimidi...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(C)cc1 |c:3,20|
Show InChI InChI=1S/C23H26N4O2/c1-14-5-9-18(10-6-14)22-21(17(4)28)16(3)25-23(27-22)24-13-20(29)26-19-11-7-15(2)8-12-19/h5-12,22H,13H2,1-4H3,(H,26,29)(H2,24,25,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.94E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198161
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(Nc2cc(Cl)ccc2CC(N)=O)=NC1c1ccc(Br)cc1 |c:3,20|
Show InChI InChI=1S/C21H20BrClN4O2/c1-11-19(12(2)28)20(13-3-6-15(22)7-4-13)27-21(25-11)26-17-10-16(23)8-5-14(17)9-18(24)29/h3-8,10,20H,9H2,1-2H3,(H2,24,29)(H2,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.07E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198165
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(NCC(=O)Nc2ccccc2)=NC1c1ccc(Br)cc1 |c:3,19|
Show InChI InChI=1S/C21H21BrN4O2/c1-13-19(14(2)27)20(15-8-10-16(22)11-9-15)26-21(24-13)23-12-18(28)25-17-6-4-3-5-7-17/h3-11,20H,12H2,1-2H3,(H,25,28)(H2,23,24,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.85E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198152
PNG
(1-(2-Amino-4-(4-(benzyloxy)phenyl)-6-methyl-1,4-di...)
Show SMILES CC(=O)C1=C(C)NC(N)=NC1c1ccc(OCc2ccccc2)cc1 |c:3,8|
Show InChI InChI=1S/C20H21N3O2/c1-13-18(14(2)24)19(23-20(21)22-13)16-8-10-17(11-9-16)25-12-15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3,(H3,21,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.95E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198150
PNG
(1-(2-Amino-6-methyl-4-phenyl-1,4-dihydropyrimidin-...)
Show SMILES CC(=O)C1=C(C)NC(N)=NC1c1ccccc1 |c:3,8|
Show InChI InChI=1S/C13H15N3O/c1-8-11(9(2)17)12(16-13(14)15-8)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H3,14,15,16)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.13E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198153
PNG
(1-(6-Methyl-2-thioxo-4-p-tolyl-3,4-tetrahydropyrim...)
Show SMILES CC(=O)C1=C(C)NC(N)=NC1c1ccc(C)cc1 |c:3,8|
Show InChI InChI=1S/C14H17N3O/c1-8-4-6-11(7-5-8)13-12(10(3)18)9(2)16-14(15)17-13/h4-7,13H,1-3H3,(H3,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.19E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198160
PNG
(2-(5-Acetyl-4-(4-chlorophenyl)-6-methyl-1,4-dihydr...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Cl)cc1 |c:3,20|
Show InChI InChI=1S/C22H22ClN3O2S/c1-13-4-10-18(11-5-13)25-19(28)12-29-22-24-14(2)20(15(3)27)21(26-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,24,26)(H,25,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198159
PNG
(2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Br)cc1 |c:3,20|
Show InChI InChI=1S/C22H22BrN3O2S/c1-13-4-10-18(11-5-13)25-19(28)12-29-22-24-14(2)20(15(3)27)21(26-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,24,26)(H,25,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.28E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198146
PNG
(1-(4-(4-Bromophenyl)-6-methyl-2-thioxo-3,4-tetrahy...)
Show SMILES CC(=O)C1=C(C)NC(=S)NC1c1ccc(Br)cc1 |c:3|
Show InChI InChI=1S/C13H13BrN2OS/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(14)6-4-9/h3-6,12H,1-2H3,(H2,15,16,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.32E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198148
PNG
(1-(6-Methyl-2-thioxo-4-p-tolyl-3,4-tetrahydropyrim...)
Show SMILES CC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1 |c:3|
Show InChI InChI=1S/C14H16N2OS/c1-8-4-6-11(7-5-8)13-12(10(3)17)9(2)15-14(18)16-13/h4-7,13H,1-3H3,(H2,15,16,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.59E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM198162
PNG
(2-(5-Acetyl-6-methyl-4-p-tolyl-1,4-dihydropyrimidi...)
Show SMILES CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(C)cc1 |c:3,20|
Show InChI InChI=1S/C23H25N3O2S/c1-14-5-9-18(10-6-14)22-21(17(4)27)16(3)24-23(26-22)29-13-20(28)25-19-11-7-15(2)8-12-19/h5-12,22H,13H2,1-4H3,(H,24,26)(H,25,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.63E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198151
PNG
(1-(2-Amino-4-(4-bromophenyl)-6-methyl-1,4- dihydro...)
Show SMILES CC(=O)C1=C(C)NC(N)=NC1c1ccc(Br)cc1 |c:3,8|
Show InChI InChI=1S/C13H14BrN3O/c1-7-11(8(2)18)12(17-13(15)16-7)9-3-5-10(14)6-4-9/h3-6,12H,1-2H3,(H3,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198149
PNG
(1-(4-(4-Chlorophenyl)-6-methyl-2-thioxo-3,4-tetrah...)
Show SMILES CC(=O)C1=C(C)NC(=S)NC1c1ccc(Cl)cc1 |c:3|
Show InChI InChI=1S/C13H13ClN2OS/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(14)6-4-9/h3-6,12H,1-2H3,(H2,15,16,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.99E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198154
PNG
(1-(2-Amino-4-(4-chlorophenyl)-6-methyl-1,4-dihydro...)
Show SMILES CC(=O)C1=C(C)NC(N)=NC1c1ccc(Cl)cc1 |c:3,8|
Show InChI InChI=1S/C13H14ClN3O/c1-7-11(8(2)18)12(17-13(15)16-7)9-3-5-10(14)6-4-9/h3-6,12H,1-2H3,(H3,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.83E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM198145
PNG
(5-Aceto-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1...)
Show SMILES CC(=O)C1=C(C)NC(=S)NC1c1ccccc1 |c:3|
Show InChI InChI=1S/C13H14N2OS/c1-8-11(9(2)16)12(15-13(17)14-8)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,14,15,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.76E+4n/an/an/an/a8.0n/a



Hazara University



Assay Description
The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (...

Bioorg Chem 69: 91-101 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.002
BindingDB Entry DOI: 10.7270/Q2X34W8W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%