new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'atta-ur-rahman' and Initial = 'a'   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
25 -44.1n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
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/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
190 -39.0n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
230 -38.5n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86023
PNG
(Methyl isoplatydesmine, 4)
Show SMILES COC(C)(C)[C@H]1Cc2c(O1)n(C)c1ccccc1c2=O |r|
Show InChI InChI=1S/C16H19NO3/c1-16(2,19-4)13-9-11-14(18)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13H,9H2,1-4H3/t13-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.90E+4 -27.4n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86022
PNG
(Ribalinine, 3)
Show SMILES Cn1c2OC(C)(C)[C@H](O)Cc2c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18)9-6-4-5-7-11(9)16(3)14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
3.00E+4 -26.2n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86023
PNG
(Methyl isoplatydesmine, 4)
Show SMILES COC(C)(C)[C@H]1Cc2c(O1)n(C)c1ccccc1c2=O |r|
Show InChI InChI=1S/C16H19NO3/c1-16(2,19-4)13-9-11-14(18)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13H,9H2,1-4H3/t13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.00E+4 -26.2n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
3.20E+4 -26.1n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens (Human))
BDBM86010
PNG
(Chalcone, 10)
Show SMILES Oc1ccc(Cl)cc1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H11ClO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H/b8-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
5.76E+4 -24.2n/an/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro lipoxygenase inhibition assay, lipoxygenase inhibiting activity was convenintly measured by slightly modifying the spectrometic method devel...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86022
PNG
(Ribalinine, 3)
Show SMILES Cn1c2OC(C)(C)[C@H](O)Cc2c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18)9-6-4-5-7-11(9)16(3)14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
7.00E+4 -24.1n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens (Human))
BDBM86012
PNG
(Chalcone, 11)
Show SMILES Oc1ccc(Cl)cc1C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10Cl2O2/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,19H/b7-3+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
7.17E+4 -23.7n/an/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro lipoxygenase inhibition assay, lipoxygenase inhibiting activity was convenintly measured by slightly modifying the spectrometic method devel...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86021
PNG
(2,2,6-Trimethyl-3,4,5,6-tetrahydro-2H-pyrano[3,2-c...)
Show SMILES Cn1c2ccccc2c2OC(C)(C)[C@@H](O)Cc2c1=O |r|
Show InChI InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(19-15)9-6-4-5-7-11(9)16(3)14(10)18/h4-7,12,17H,8H2,1-3H3/t12-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.00E+4 -23.5n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86021
PNG
(2,2,6-Trimethyl-3,4,5,6-tetrahydro-2H-pyrano[3,2-c...)
Show SMILES Cn1c2ccccc2c2OC(C)(C)[C@@H](O)Cc2c1=O |r|
Show InChI InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(19-15)9-6-4-5-7-11(9)16(3)14(10)18/h4-7,12,17H,8H2,1-3H3/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.10E+5 -23.0n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


J Enzyme Inhib Med Chem 21: 703-10 (2006)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q26D5RJS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 41n/an/an/an/an/an/a



Tribhuvan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Nat Prod 64: 842-4 (2001)


BindingDB Entry DOI: 10.7270/Q20R9P54
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman method


J Nat Prod 66: 739-42 (2003)


Article DOI: 10.1021/np020446o
BindingDB Entry DOI: 10.7270/Q2862G6D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 573n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 857n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of BChE (unknown origin)


J Nat Prod 66: 739-42 (2003)


Article DOI: 10.1021/np020446o
BindingDB Entry DOI: 10.7270/Q2862G6D
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 857n/an/an/an/an/an/a



Tribhuvan University

Curated by ChEMBL


Assay Description
Inhibition of horse BChE


J Nat Prod 64: 842-4 (2001)


BindingDB Entry DOI: 10.7270/Q20R9P54
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50218211
PNG
(1'-(4-Methyl-benzyl)-[1,4']bipiperidinyl | CHEMBL3...)
Show SMILES Cc1ccc(CN2CCC(CC2)N2CCCCC2)cc1
Show InChI InChI=1S/C18H28N2/c1-16-5-7-17(8-6-16)15-19-13-9-18(10-14-19)20-11-3-2-4-12-20/h5-8,18H,2-4,9-15H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+3n/an/an/an/a6.837



University of Karachi



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using SpectraMax 340 (Molecular Devices, CA, USA) microplate reader accord...


J Enzyme Inhib Med Chem 20: 401-7 (2005)


Article DOI: 10.1080/14756360500179333
BindingDB Entry DOI: 10.7270/Q29G5KBN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50292424
PNG
(Anacardic acid 10'Z-monoene | CHEMBL470264)
Show SMILES CCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h5-6,15,17-18,23H,2-4,7-14,16H2,1H3,(H,24,25)/b6-5-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.17E+3n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50259880
PNG
(3alpha-acetoxy-27-hydroxylup-20(29)-en-24-oic acid...)
Show SMILES CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12 |r|
Show InChI InChI=1S/C32H50O5/c1-19(2)21-10-13-28(4)16-17-32(18-33)22(26(21)28)8-9-23-29(5)14-12-25(37-20(3)34)31(7,27(35)36)24(29)11-15-30(23,32)6/h21-26,33H,1,8-18H2,2-7H3,(H,35,36)/t21-,22+,23+,24+,25+,26+,28+,29+,30+,31+,32-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of prolyl endopeptidase


J Nat Prod 68: 189-93 (2005)


Article DOI: 10.1021/np040142x
BindingDB Entry DOI: 10.7270/Q22V2H18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347127
PNG
(CHEMBL1797234)
Show SMILES CCCCC[C@H](O)\C=C\CCCCCCCc1cccc(O)c1C(O)=O |r|
Show InChI InChI=1S/C22H34O4/c1-2-3-9-15-19(23)16-11-8-6-4-5-7-10-13-18-14-12-17-20(24)21(18)22(25)26/h11-12,14,16-17,19,23-24H,2-10,13,15H2,1H3,(H,25,26)/b16-11+/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.18E+3n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50198715
PNG
((2S)-2-amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)pr...)
Show SMILES N[C@@H](Cn1ccc(=O)c(O)c1)C(O)=O
Show InChI InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
n/an/a 3.68E+3n/an/an/an/a6.837



University of Karachi



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using SpectraMax 340 (Molecular Devices, CA, USA) microplate reader accord...


J Enzyme Inhib Med Chem 20: 401-7 (2005)


Article DOI: 10.1080/14756360500179333
BindingDB Entry DOI: 10.7270/Q29G5KBN
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50218209
PNG
(CHEMBL250773 | Tyrosinase Inhibitor, 3 | naphthale...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H26N2O/c24-21(19-9-8-17-6-2-3-7-18(17)16-19)23-14-10-20(11-15-23)22-12-4-1-5-13-22/h2-3,6-9,16,20H,1,4-5,10-15H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.64E+3n/an/an/an/a6.837



University of Karachi



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using SpectraMax 340 (Molecular Devices, CA, USA) microplate reader accord...


J Enzyme Inhib Med Chem 20: 401-7 (2005)


Article DOI: 10.1080/14756360500179333
BindingDB Entry DOI: 10.7270/Q29G5KBN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.45E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase


J Nat Prod 68: 189-93 (2005)


Article DOI: 10.1021/np040142x
BindingDB Entry DOI: 10.7270/Q22V2H18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50241262
PNG
((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-a...)
Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
Show InChI InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.89E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of prolyl endopeptidase


J Nat Prod 68: 189-93 (2005)


Article DOI: 10.1021/np040142x
BindingDB Entry DOI: 10.7270/Q22V2H18
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by Ellman's method


J Nat Prod 69: 1429-34 (2006)


Article DOI: 10.1021/np0680174
BindingDB Entry DOI: 10.7270/Q2CN73N0
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM85773
PNG
(Tyrosinase Inhibitor, 8)
Show SMILES O=N(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C16H23N3O4S/c20-19(21)15-4-6-16(7-5-15)24(22,23)18-12-8-14(9-13-18)17-10-2-1-3-11-17/h4-7,14H,1-3,8-13H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.76E+3n/an/an/an/a6.837



University of Karachi



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using SpectraMax 340 (Molecular Devices, CA, USA) microplate reader accord...


J Enzyme Inhib Med Chem 20: 401-7 (2005)


Article DOI: 10.1080/14756360500179333
BindingDB Entry DOI: 10.7270/Q29G5KBN
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50241260
PNG
((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-h...)
Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9.75E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of prolyl endopeptidase


J Nat Prod 68: 189-93 (2005)


Article DOI: 10.1021/np040142x
BindingDB Entry DOI: 10.7270/Q22V2H18
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50242345
PNG
(CHEMBL460447 | [(20S)-20-(N,N-dimethylamino)-3 bet...)
Show SMILES [#6]-[#6@H](-[#7](-[#6])-[#6])-[#6]1=[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6] |r,t:5|
Show InChI InChI=1S/C30H48N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h11,17,19,21,23-26,28H,9-10,12-16H2,1-8H3,(H,31,34)/t19-,21-,23-,24-,25-,26-,28+,29+,30+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Tribhuvan University

Curated by ChEMBL


Assay Description
Inhibition of horse BChE


J Nat Prod 64: 842-4 (2001)


BindingDB Entry DOI: 10.7270/Q20R9P54
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50241737
PNG
((1R,4R,5R,9S,11S)-4,5-epoxycaryophyllan-8(13)-en-1...)
Show SMILES C[C@@]12CC[C@@H]3[C@H](C[C@]3(C)CO)C(=C)CC[C@H]1O2 |r|
Show InChI InChI=1S/C15H24O2/c1-10-4-5-13-15(3,17-13)7-6-12-11(10)8-14(12,2)9-16/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,14-,15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.09E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by Ellman's method


J Nat Prod 69: 1429-34 (2006)


Article DOI: 10.1021/np0680174
BindingDB Entry DOI: 10.7270/Q2CN73N0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50259927
PNG
(3-[10'(Z)-heptadecenyl]phenol | CHEMBL470127)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h7-8,17,19-21,24H,2-6,9-16,18H2,1H3/b8-7-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.31E+4n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM35525
PNG
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Show SMILES Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease


Bioorg Med Chem 16: 3456-61 (2008)


Article DOI: 10.1016/j.bmc.2005.09.048
BindingDB Entry DOI: 10.7270/Q2474C5K
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86002
PNG
((E)-1-phenyl-3-(2-hydroxyphenyl)-2-propen-1-one (8...)
Show SMILES Oc1ccccc1\C=C\C(=O)c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.60E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.67E+4n/an/an/an/a6.837



University of Karachi



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using SpectraMax 340 (Molecular Devices, CA, USA) microplate reader accord...


J Enzyme Inhib Med Chem 20: 401-7 (2005)


Article DOI: 10.1080/14756360500179333
BindingDB Entry DOI: 10.7270/Q29G5KBN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347129
PNG
(CHEMBL1797236)
Show SMILES CCCC\C=C/CCCCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h5-6,15,17-19,22H,2-4,7-14,16H2,1H3/b6-5-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+4n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50218210
PNG
(2,2,2-trifluoro-1-(4-(piperidin-1-yl)piperidin-1-y...)
Show SMILES FC(F)(F)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C12H19F3N2O/c13-12(14,15)11(18)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.81E+4n/an/an/an/a6.837



University of Karachi



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using SpectraMax 340 (Molecular Devices, CA, USA) microplate reader accord...


J Enzyme Inhib Med Chem 20: 401-7 (2005)


Article DOI: 10.1080/14756360500179333
BindingDB Entry DOI: 10.7270/Q29G5KBN
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM85774
PNG
(Tyrosinase Inhibitor, 10)
Show SMILES C(CCN1CCC(CC1)N1CCCCC1)COc1ccccc1
Show InChI InChI=1S/C20H32N2O/c1-3-9-20(10-4-1)23-18-8-7-13-21-16-11-19(12-17-21)22-14-5-2-6-15-22/h1,3-4,9-10,19H,2,5-8,11-18H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.95E+4n/an/an/an/a6.837



University of Karachi



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using SpectraMax 340 (Molecular Devices, CA, USA) microplate reader accord...


J Enzyme Inhib Med Chem 20: 401-7 (2005)


Article DOI: 10.1080/14756360500179333
BindingDB Entry DOI: 10.7270/Q29G5KBN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86006
PNG
(Chalcone, 5)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.31E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50241740
PNG
((1R,4R,5R,8S, 9S,13S)-caryolane-5,8,13-triol | CHE...)
Show SMILES CC1(C)C[C@H]2[C@H]1CC[C@]1(C)[C@H](O)CC[C@@]2(O)[C@H]1O |r,TLB:17:16:13.12.10:7.6.4.5|
Show InChI InChI=1S/C15H26O3/c1-13(2)8-10-9(13)4-6-14(3)11(16)5-7-15(10,18)12(14)17/h9-12,16-18H,4-8H2,1-3H3/t9-,10+,11-,12+,14-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.36E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by Ellman's method


J Nat Prod 69: 1429-34 (2006)


Article DOI: 10.1021/np0680174
BindingDB Entry DOI: 10.7270/Q2CN73N0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50242346
PNG
(CHEMBL500603 | [(20S)-20-(N-methylamino)-3beta-(ti...)
Show SMILES CN[C@@H](C)C1=CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)C(\C)=C\C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |r,t:4|
Show InChI InChI=1S/C31H48N2O5/c1-9-17(2)29(36)33-27-26(37-19(4)34)16-31(7)24-14-15-30(6)22(18(3)32-8)12-13-23(30)21(24)10-11-25(31)28(27)38-20(5)35/h9,12,18,21,23-28,32H,10-11,13-16H2,1-8H3,(H,33,36)/b17-9+/t18-,21-,23-,24-,25-,26-,27-,28+,30+,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Tribhuvan University

Curated by ChEMBL


Assay Description
Inhibition of horse BChE


J Nat Prod 64: 842-4 (2001)


BindingDB Entry DOI: 10.7270/Q20R9P54
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50241739
PNG
((1R,4R,5R,8S,9S)-4,5-epoxycaryophyllan-13-ol | CHE...)
Show SMILES C[C@@]12CC[C@@H]3[C@H](CC3(C)C)[C@@H](CO)CC[C@H]1O2 |r|
Show InChI InChI=1S/C15H26O2/c1-14(2)8-11-10(9-16)4-5-13-15(3,17-13)7-6-12(11)14/h10-13,16H,4-9H2,1-3H3/t10-,11-,12-,13-,15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.64E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by Ellman's method


J Nat Prod 69: 1429-34 (2006)


Article DOI: 10.1021/np0680174
BindingDB Entry DOI: 10.7270/Q2CN73N0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86009
PNG
(Chalcone, 9)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1OC
Show InChI InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.82E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50218205
PNG
(1-(4-(piperidin-1-yl)piperidin-1-yl)ethanone | CHE...)
Show SMILES CC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C12H22N2O/c1-11(15)13-9-5-12(6-10-13)14-7-3-2-4-8-14/h12H,2-10H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.99E+4n/an/an/an/a6.837



University of Karachi



Assay Description
Tyrosinase inhibition assays were performed in a 96-well microplate format using SpectraMax 340 (Molecular Devices, CA, USA) microplate reader accord...


J Enzyme Inhib Med Chem 20: 401-7 (2005)


Article DOI: 10.1080/14756360500179333
BindingDB Entry DOI: 10.7270/Q29G5KBN
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50250634
PNG
(CHEMBL466169 | [(20S)-20-(dimethylamino)-3-beta-(2...)
Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)[C@H](C)N(C)C |r,t:13|
Show InChI InChI=1S/C31H52N2O2/c1-10-20(2)27(34)32-26-15-18-31(35)19-22-13-16-29(6)23(21(3)33(8)9)14-17-30(29,7)24(22)11-12-25(31)28(26,4)5/h10,13,21,23-26,35H,11-12,14-19H2,1-9H3,(H,32,34)/b20-10+/t21-,23+,24+,25-,26-,29+,30-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.12E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of BChE (unknown origin)


J Nat Prod 66: 739-42 (2003)


Article DOI: 10.1021/np020446o
BindingDB Entry DOI: 10.7270/Q2862G6D
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50423628
PNG
(CHEMBL259477)
Show SMILES Oc1c(C(c2cccnc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C24H15NO6/c26-21-14-7-1-3-9-16(14)30-23(28)19(21)18(13-6-5-11-25-12-13)20-22(27)15-8-2-4-10-17(15)31-24(20)29/h1-12,18,26-27H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.55E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease


Bioorg Med Chem 16: 3456-61 (2008)


Article DOI: 10.1016/j.bmc.2005.09.048
BindingDB Entry DOI: 10.7270/Q2474C5K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50241261
PNG
((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-h...)
Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
Show InChI InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.63E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of prolyl endopeptidase


J Nat Prod 68: 189-93 (2005)


Article DOI: 10.1021/np040142x
BindingDB Entry DOI: 10.7270/Q22V2H18
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86005
PNG
(Chalcone, 4)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86010
PNG
(Chalcone, 10)
Show SMILES Oc1ccc(Cl)cc1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H11ClO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H/b8-6+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.92E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50303448
PNG
(Beta-elemonic acid | CHEMBL566929)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O |r,c:12|
Show InChI InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24+,28+,29-,30+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.97E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of prolyl endopeptidase


J Nat Prod 68: 189-93 (2005)


Article DOI: 10.1021/np040142x
BindingDB Entry DOI: 10.7270/Q22V2H18
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 120 total )  |  Next  |  Last  >>
Jump to: