BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 33 hits of ki data for polymerid = 1064   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50061568
PNG
(2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N...)
Show SMILES C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
0.0210n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50055159
PNG
(CHEMBL136916 | CHEMBL150001 | Trimethyl-(4-oxo-pen...)
Show SMILES CC(=O)CCC[N+](C)(C)C
Show InChI InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
0.0230n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
0.350n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


J Med Chem 35: 1102-8 (1992)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
0.700n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity by displacing [3H]methylscopolamine [3H]NMS from mouse cerebral cortex tissue.


J Med Chem 35: 1102-8 (1992)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50292569
PNG
(2-[(1Z)-(hydroxyimino)methyl]-1-(7-{2-[(1E)-(hydro...)
Show SMILES O=NCc1cccc[n+]1CCCCCCC[n+]1ccccc1CN=O
Show InChI InChI=1S/C19H26N4O2/c24-20-16-18-10-4-8-14-22(18)12-6-2-1-3-7-13-23-15-9-5-11-19(23)17-21-25/h4-5,8-11,14-15H,1-3,6-7,12-13,16-17H2/q+2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
1.70n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


J Med Chem 35: 1102-8 (1992)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM31904
PNG
(CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...)
Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50060582
PNG
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)
Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
8n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


J Med Chem 35: 1102-8 (1992)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
18n/an/an/an/an/an/an/an/a



Mayo Clinic College of Medicine



Assay Description
Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

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



Mayo Clinic College of Medicine



Assay Description
Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM120263
PNG
(N-methylacridinium)
Show SMILES C[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C14H12N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
310n/an/an/an/an/an/an/an/a



Mayo Clinic College of Medicine



Assay Description
Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50149201
PNG
(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Show SMILES Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cnnn1CCNc1c3CCCCc3nc3ccccc13)c1cc(=[NH2+])ccc21
Show InChI InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)49(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-46-48-50(32)25-23-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,47)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
410n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50060582
PNG
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)
Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
460n/an/an/an/an/an/an/an/a



Mayo Clinic College of Medicine



Assay Description
Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


J Med Chem 35: 1102-8 (1992)

More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152524
PNG
(N-(4-(3-(4-(pyridin-2-yl)piperazin-1-yl)propoxy)ph...)
Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-17(25)22-18-6-8-19(9-7-18)26-16-4-11-23-12-14-24(15-13-23)20-5-2-3-10-21-20/h2-3,5-10H,4,11-16H2,1H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
2.26E+3n/a 1.67E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152520
PNG
(N-[4-{3-(4-phenylpiperazin-1-yl)propoxy}phenyl]ace...)
Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-18(25)22-19-8-10-21(11-9-19)26-17-5-12-23-13-15-24(16-14-23)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.28E+3n/a 1.39E+3n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152521
PNG
(N-(4-(3-(4-(2-fluorophenyl)piperazin-1-yl)propoxy)...)
Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ccccc2F)cc1
Show InChI InChI=1S/C21H26FN3O2/c1-17(26)23-18-7-9-19(10-8-18)27-16-4-11-24-12-14-25(15-13-24)21-6-3-2-5-20(21)22/h2-3,5-10H,4,11-16H2,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.54E+3n/a 1.36E+3n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152522
PNG
(N-(4-(3-(4-(4-fluorophenyl)piperazin-1-yl)propoxy)...)
Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H26FN3O2/c1-17(26)23-19-5-9-21(10-6-19)27-16-2-11-24-12-14-25(15-13-24)20-7-3-18(22)4-8-20/h3-10H,2,11-16H2,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.10E+3n/a 490n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152515
PNG
(N-(4-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoet...)
Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H22FN3O3/c1-15(25)22-17-4-8-19(9-5-17)27-14-20(26)24-12-10-23(11-13-24)18-6-2-16(21)3-7-18/h2-9H,10-14H2,1H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
5.45E+3n/a 4.36E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50377920
PNG
(CHEMBL540657)
Show SMILES Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cn(CCNc3c4CCCCc4nc4ccccc34)nn1)c1cc(=[NH2+])ccc21
Show InChI InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)50(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-49(48-47-32)25-23-45-41-35-15-7-9-17-38(35)46-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,46)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
8.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152516
PNG
(N-(4-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)etho...)
Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C19H22N4O3/c1-15(24)21-16-5-7-17(8-6-16)26-14-19(25)23-12-10-22(11-13-23)18-4-2-3-9-20-18/h2-9H,10-14H2,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
8.95E+3n/a 5.11E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152525
PNG
(N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)...)
Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C19H25N5O2/c1-16(25)22-17-4-6-18(7-5-17)26-15-3-10-23-11-13-24(14-12-23)19-20-8-2-9-21-19/h2,4-9H,3,10-15H2,1H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
9.04E+3n/a 2.75E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
9.30E+3n/an/an/an/an/an/an/an/a



Mayo Clinic College of Medicine



Assay Description
Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152523
PNG
(N-(4-(3-(4-(3-chlorophenyl)piperazin-1-yl)propoxy)...)
Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C21H26ClN3O2/c1-17(26)23-19-6-8-21(9-7-19)27-15-3-10-24-11-13-25(14-12-24)20-5-2-4-18(22)16-20/h2,4-9,16H,3,10-15H2,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
9.90E+3n/a 1.03E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152512
PNG
(N-[4-{2-(4-ethylpiperazin-1-yl)-2-oxoethoxy}phenyl...)
Show SMILES CCN1CCN(CC1)C(=O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C16H23N3O3/c1-3-18-8-10-19(11-9-18)16(21)12-22-15-6-4-14(5-7-15)17-13(2)20/h4-7H,3,8-12H2,1-2H3,(H,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.58E+4n/a 5.73E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152518
PNG
(N-(4-(2-(4-(furan-2-carbonyl)piperazin-1-yl)-2-oxo...)
Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2ccco2)cc1
Show InChI InChI=1S/C19H21N3O5/c1-14(23)20-15-4-6-16(7-5-15)27-13-18(24)21-8-10-22(11-9-21)19(25)17-3-2-12-26-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.95E+4n/a 1.07E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152517
PNG
(N-(4-(2-oxo-2-(4-(pyrimidin-2-yl)piperazin-1-yl)et...)
Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C18H21N5O3/c1-14(24)21-15-3-5-16(6-4-15)26-13-17(25)22-9-11-23(12-10-22)18-19-7-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
3.48E+4n/a 1.56E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152513
PNG
(N-[4-{2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy}pheny...)
Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-16(24)21-17-7-9-19(10-8-17)26-15-20(25)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.37E+4n/a 1.66E+3n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152514
PNG
(N-(4-(2-(4-(2-fluorophenyl)piperazin-1-yl)-2-oxoet...)
Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccccc2F)cc1
Show InChI InChI=1S/C20H22FN3O3/c1-15(25)22-16-6-8-17(9-7-16)27-14-20(26)24-12-10-23(11-13-24)19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.68E+4n/a 3.02E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
6.60E+4n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


J Med Chem 35: 1102-8 (1992)

More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM152519
PNG
(N-(4-(3-(4-ethylpiperazin-1-yl)propoxy)phenyl)acet...)
Show SMILES CCN1CCN(CCCOc2ccc(NC(C)=O)cc2)CC1
Show InChI InChI=1S/C17H27N3O2/c1-3-19-10-12-20(13-11-19)9-4-14-22-17-7-5-16(6-8-17)18-15(2)21/h5-8H,3-4,9-14H2,1-2H3,(H,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.17E+5n/a 7.98E+4n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase (AChE)


(Mus musculus (mouse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.31E+5n/a 5.34E+3n/an/an/an/an/an/a



Panjab University



Assay Description
An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 l) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 ...


Citation and Details
More data for this
Ligand-Target Pair