BindingDB logo
myBDB logout

PubMed code 18333606

Compile data set for download or QSAR
Found 29 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


(Mus musculus (mouse))		BDBM50373109
PNG
(CHEMBL406645)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C37H58N2O2/c1-3-36(32-18-16-20-34(40)28-32)22-10-14-26-38(30-36)24-12-8-6-5-7-9-13-25-39-27-15-11-23-37(4-2,31-39)33-19-17-21-35(41)29-33/h16-21,28-29,40-41H,3-15,22-27,30-31H2,1-2H3/t36-,37-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373108
PNG
(CHEMBL259523)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C38H60N2O2/c1-3-37(33-19-17-21-35(41)29-33)23-11-15-27-39(31-37)25-13-9-7-5-6-8-10-14-26-40-28-16-12-24-38(4-2,32-40)34-20-18-22-36(42)30-34/h17-22,29-30,41-42H,3-16,23-28,31-32H2,1-2H3/t37-,38-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373109
PNG
(CHEMBL406645)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C37H58N2O2/c1-3-36(32-18-16-20-34(40)28-32)22-10-14-26-38(30-36)24-12-8-6-5-7-9-13-25-39-27-15-11-23-37(4-2,31-39)33-19-17-21-35(41)29-33/h16-21,28-29,40-41H,3-15,22-27,30-31H2,1-2H3/t36-,37-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373108
PNG
(CHEMBL259523)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C38H60N2O2/c1-3-37(33-19-17-21-35(41)29-33)23-11-15-27-39(31-37)25-13-9-7-5-6-8-10-14-26-40-28-16-12-24-38(4-2,32-40)34-20-18-22-36(42)30-34/h17-22,29-30,41-42H,3-16,23-28,31-32H2,1-2H3/t37-,38-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373118
PNG
(CHEMBL406885)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C39H62N2O2/c1-3-38(34-20-18-22-36(42)30-34)24-12-16-28-40(32-38)26-14-10-8-6-5-7-9-11-15-27-41-29-17-13-25-39(4-2,33-41)35-21-19-23-37(43)31-35/h18-23,30-31,42-43H,3-17,24-29,32-33H2,1-2H3/t38-,39-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373117
PNG
(CHEMBL265214)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C40H64N2O2/c1-3-39(35-21-19-23-37(43)31-35)25-13-17-29-41(33-39)27-15-11-9-7-5-6-8-10-12-16-28-42-30-18-14-26-40(4-2,34-42)36-22-20-24-38(44)32-36/h19-24,31-32,43-44H,3-18,25-30,33-34H2,1-2H3/t39-,40-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373110
PNG
(CHEMBL410915)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C36H56N2O2/c1-3-35(31-17-15-19-33(39)27-31)21-9-13-25-37(29-35)23-11-7-5-6-8-12-24-38-26-14-10-22-36(4-2,30-38)32-18-16-20-34(40)28-32/h15-20,27-28,39-40H,3-14,21-26,29-30H2,1-2H3/t35-,36-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373118
PNG
(CHEMBL406885)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C39H62N2O2/c1-3-38(34-20-18-22-36(42)30-34)24-12-16-28-40(32-38)26-14-10-8-6-5-7-9-11-15-27-41-29-17-13-25-39(4-2,33-41)35-21-19-23-37(43)31-35/h18-23,30-31,42-43H,3-17,24-29,32-33H2,1-2H3/t38-,39-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373110
PNG
(CHEMBL410915)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C36H56N2O2/c1-3-35(31-17-15-19-33(39)27-31)21-9-13-25-37(29-35)23-11-7-5-6-8-12-24-38-26-14-10-22-36(4-2,30-38)32-18-16-20-34(40)28-32/h15-20,27-28,39-40H,3-14,21-26,29-30H2,1-2H3/t35-,36-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373117
PNG
(CHEMBL265214)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C40H64N2O2/c1-3-39(35-21-19-23-37(43)31-35)25-13-17-29-41(33-39)27-15-11-9-7-5-6-8-10-12-16-28-42-30-18-14-26-40(4-2,34-42)36-22-20-24-38(44)32-36/h19-24,31-32,43-44H,3-18,25-30,33-34H2,1-2H3/t39-,40-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373111
PNG
(CHEMBL258935)
Show SMILES CC[C@]1(CCCCN(CCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C35H54N2O2/c1-3-34(30-16-14-18-32(38)26-30)20-8-12-24-36(28-34)22-10-6-5-7-11-23-37-25-13-9-21-35(4-2,29-37)31-17-15-19-33(39)27-31/h14-19,26-27,38-39H,3-13,20-25,28-29H2,1-2H3/t34-,35-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 102n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373114
PNG
(CHEMBL409858)
Show SMILES CC[C@]1(CCCCN(CCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C32H48N2O2/c1-3-31(27-13-11-15-29(35)23-27)17-5-7-19-33(25-31)21-9-10-22-34-20-8-6-18-32(4-2,26-34)28-14-12-16-30(36)24-28/h11-16,23-24,35-36H,3-10,17-22,25-26H2,1-2H3/t31-,32-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373112
PNG
(CHEMBL258505)
Show SMILES CC[C@]1(CCCCN(CCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C34H52N2O2/c1-3-33(29-15-13-17-31(37)25-29)19-7-11-23-35(27-33)21-9-5-6-10-22-36-24-12-8-20-34(4-2,28-36)30-16-14-18-32(38)26-30/h13-18,25-26,37-38H,3-12,19-24,27-28H2,1-2H3/t33-,34-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 119n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373119
PNG
(CHEMBL411226)
Show SMILES CC[C@]1(CCCCN(CCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C30H44N2O2/c1-3-29(25-11-9-13-27(33)21-25)15-5-7-17-31(23-29)19-20-32-18-8-6-16-30(4-2,24-32)26-12-10-14-28(34)22-26/h9-14,21-22,33-34H,3-8,15-20,23-24H2,1-2H3/t29-,30-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373115
PNG
(CHEMBL258468)
Show SMILES CC[C@]1(CCCCN(CCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C31H46N2O2/c1-3-30(26-12-9-14-28(34)22-26)16-5-7-18-32(24-30)20-11-21-33-19-8-6-17-31(4-2,25-33)27-13-10-15-29(35)23-27/h9-10,12-15,22-23,34-35H,3-8,11,16-21,24-25H2,1-2H3/t30-,31-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 132n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM50373113
PNG
(CHEMBL408463)
Show SMILES CCC1(CCCCN(CCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 |w:2.1|
Show InChI InChI=1S/C33H50N2O2/c1-3-32(28-14-12-16-30(36)24-28)18-6-10-22-34(26-32)20-8-5-9-21-35-23-11-7-19-33(4-2,27-35)29-15-13-17-31(37)25-29/h12-17,24-25,36-37H,3-11,18-23,26-27H2,1-2H3/t32-,33?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 192n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373111
PNG
(CHEMBL258935)
Show SMILES CC[C@]1(CCCCN(CCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C35H54N2O2/c1-3-34(30-16-14-18-32(38)26-30)20-8-12-24-36(28-34)22-10-6-5-7-11-23-37-25-13-9-21-35(4-2,29-37)31-17-15-19-33(39)27-31/h14-19,26-27,38-39H,3-13,20-25,28-29H2,1-2H3/t34-,35-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373113
PNG
(CHEMBL408463)
Show SMILES CCC1(CCCCN(CCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 |w:2.1|
Show InChI InChI=1S/C33H50N2O2/c1-3-32(28-14-12-16-30(36)24-28)18-6-10-22-34(26-32)20-8-5-9-21-35-23-11-7-19-33(4-2,27-35)29-15-13-17-31(37)25-29/h12-17,24-25,36-37H,3-11,18-23,26-27H2,1-2H3/t32-,33?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373112
PNG
(CHEMBL258505)
Show SMILES CC[C@]1(CCCCN(CCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C34H52N2O2/c1-3-33(29-15-13-17-31(37)25-29)19-7-11-23-35(27-33)21-9-5-6-10-22-36-24-12-8-20-34(4-2,28-36)30-16-14-18-32(38)26-30/h13-18,25-26,37-38H,3-12,19-24,27-28H2,1-2H3/t33-,34-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1.22E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))		BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
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
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50373108
PNG
(CHEMBL259523)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C38H60N2O2/c1-3-37(33-19-17-21-35(41)29-33)23-11-15-27-39(31-37)25-13-9-7-5-6-8-10-14-26-40-28-16-12-24-38(4-2,32-40)34-20-18-22-36(42)30-34/h17-22,29-30,41-42H,3-16,23-28,31-32H2,1-2H3/t37-,38-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE-induced amyloid beta aggregation by thioflavin T fluorescence method

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE-induced amyloid beta aggregation by thioflavin T fluorescence method

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Mus musculus (Mouse))		BDBM50373116
PNG
(MEPTAZINOL | US10231963, Table B.11 | US10736890, ...)
Show SMILES CCC1(CCCCN(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50373109
PNG
(CHEMBL406645)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C37H58N2O2/c1-3-36(32-18-16-20-34(40)28-32)22-10-14-26-38(30-36)24-12-8-6-5-7-9-13-25-39-27-15-11-23-37(4-2,31-39)33-19-17-21-35(41)29-33/h16-21,28-29,40-41H,3-15,22-27,30-31H2,1-2H3/t36-,37-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE-induced amyloid beta aggregation by thioflavin T fluorescence method

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373114
PNG
(CHEMBL409858)
Show SMILES CC[C@]1(CCCCN(CCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C32H48N2O2/c1-3-31(27-13-11-15-29(35)23-27)17-5-7-19-33(25-31)21-9-10-22-34-20-8-6-18-32(4-2,26-34)28-14-12-16-30(36)24-28/h11-16,23-24,35-36H,3-10,17-22,25-26H2,1-2H3/t31-,32-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2.14E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373116
PNG
(MEPTAZINOL | US10231963, Table B.11 | US10736890, ...)
Show SMILES CCC1(CCCCN(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373115
PNG
(CHEMBL258468)
Show SMILES CC[C@]1(CCCCN(CCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C31H46N2O2/c1-3-30(26-12-9-14-28(34)22-26)16-5-7-18-32(24-30)20-11-21-33-19-8-6-17-31(4-2,25-33)27-13-10-15-29(35)23-27/h9-10,12-15,22-23,34-35H,3-8,11,16-21,24-25H2,1-2H3/t30-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50373119
PNG
(CHEMBL411226)
Show SMILES CC[C@]1(CCCCN(CCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C30H44N2O2/c1-3-29(25-11-9-13-27(33)21-25)15-5-7-17-31(23-29)19-20-32-18-8-6-16-30(4-2,24-32)26-12-10-14-28(34)22-26/h9-14,21-22,33-34H,3-8,15-20,23-24H2,1-2H3/t29-,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE

J Med Chem 51: 2027-36 (2008)


Article DOI: 10.1021/jm070154q
BindingDB Entry DOI: 10.7270/Q2C82B4G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%