BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 96 hits of Enz. Inhib. data with enzyme = 'Butyrylcholinesterase (BChE)' and Substrate = 'BDBM8978'   
Target/Host
(Institution)
LigandTarget/Host
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8977
PNG
(CHEMBL175949 | N-[3-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CC(=O)N(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H42N4OS/c1-25(40)39(23-12-21-36-34-26-13-2-6-17-30(26)37-31-18-7-3-14-27(31)34)22-10-11-24-41-35-28-15-4-8-19-32(28)38-33-20-9-5-16-29(33)35/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,36,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8975
PNG
(CHEMBL179192 | N-[3-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H40N4OS/c1-24(39)38(21-10-20-35-33-25-12-2-6-16-29(25)36-30-17-7-3-13-26(30)33)22-11-23-40-34-27-14-4-8-18-31(27)37-32-19-9-5-15-28(32)34/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,35,36)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8971
PNG
(CHEMBL129108 | N-[8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8976
PNG
(CHEMBL175555 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...)
Show SMILES CN(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4S/c1-38(23-12-21-35-33-25-13-2-6-17-29(25)36-30-18-7-3-14-26(30)33)22-10-11-24-39-34-27-15-4-8-19-31(27)37-32-20-9-5-16-28(32)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,35,36)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8967
PNG
(N,N-Bis[3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]p...)
Show SMILES C=CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N5/c1-2-23-40(24-11-21-36-34-26-13-3-7-17-30(26)38-31-18-8-4-14-27(31)34)25-12-22-37-35-28-15-5-9-19-32(28)39-33-20-10-6-16-29(33)35/h2-3,5,7,9,13,15,17,19H,1,4,6,8,10-12,14,16,18,20-25H2,(H,36,38)(H,37,39)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.760n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8966
PNG
(N,N-Bis[3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]p...)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H43N5/c1-2-39(23-11-21-35-33-25-13-3-7-17-29(25)37-30-18-8-4-14-26(30)33)24-12-22-36-34-27-15-5-9-19-31(27)38-32-20-10-6-16-28(32)34/h3,5,7,9,13,15,17,19H,2,4,6,8,10-12,14,16,18,20-24H2,1H3,(H,35,37)(H,36,38)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.940n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2 -11.9n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8964
PNG
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8969
PNG
(CHEMBL131410 | N,N-bis[3-(1,2,3,4-tetrahydroacridi...)
Show SMILES CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N5O/c1-24(40)39(22-10-20-35-33-25-12-2-6-16-29(25)37-30-17-7-3-13-26(30)33)23-11-21-36-34-27-14-4-8-18-31(27)38-32-19-9-5-15-28(32)34/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,35,37)(H,36,38)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8972
PNG
(N-(1,2,3,4-Tetrahydroacridin-9-yl)-9-[(1,2,3,4-tet...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N3S/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)34)3-5-15-25-39-35-28-18-8-12-22-32(28)38-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8968
PNG
(2-{bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)prop...)
Show SMILES OCCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H43N5O/c40-24-23-39(21-9-19-35-33-25-11-1-5-15-29(25)37-30-16-6-2-12-26(30)33)22-10-20-36-34-27-13-3-7-17-31(27)38-32-18-8-4-14-28(32)34/h1,3,5,7,11,13,15,17,40H,2,4,6,8-10,12,14,16,18-24H2,(H,35,37)(H,36,38)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8974
PNG
(CHEMBL367067 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...)
Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4S/c1-37(21-10-20-34-32-24-12-2-6-16-28(24)35-29-17-7-3-13-25(29)32)22-11-23-38-33-26-14-4-8-18-30(26)36-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8965
PNG
(CHEMBL338755 | Tacrine Dimer 4a | methylbis[3-(1,2...)
Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H41N5/c1-38(22-10-20-34-32-24-12-2-6-16-28(24)36-29-17-7-3-13-25(29)32)23-11-21-35-33-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,36)(H,35,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
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


Similars

Article
PubMed
7 -11.1n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
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


Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8958
PNG
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)
Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8973
PNG
(N-(1,2,3,4-Tetrahydroacridin-9-yl)-N-[8-(1,2,3,4-t...)
Show SMILES C(CCCCc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3/c1(3-5-15-25-26-16-6-10-20-30(26)36-31-21-11-7-17-27(25)31)2-4-14-24-35-34-28-18-8-12-22-32(28)37-33-23-13-9-19-29(33)34/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-24H2,(H,35,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10525
PNG
(N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl...)
Show SMILES C(CCCSc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H37N3S/c1(11-21-33-31-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)31)2-12-22-36-32-25-15-5-9-19-29(25)35-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
30 -10.3n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8970
PNG
(CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H39N3S/c1(2-12-22-34-32-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)36-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8970
PNG
(CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H39N3S/c1(2-12-22-34-32-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)36-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35 -10.2n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10526
PNG
(N-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl...)
Show SMILES C(CCSc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N3S/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)32-25)31-19-9-10-20-34-30-23-13-3-7-17-27(23)33-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
40 -10.1n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10524
PNG
(N-{6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES Clc1cc(Cl)c2c(SCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H35Cl2N3S/c33-21-19-25(34)30-29(20-21)37-28-16-8-5-13-24(28)32(30)38-18-10-2-1-9-17-35-31-22-11-3-6-14-26(22)36-27-15-7-4-12-23(27)31/h3,6,11,14,19-20H,1-2,4-5,7-10,12-13,15-18H2,(H,35,36)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
45 -10.0n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10516
PNG
(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine | C...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50 -9.95n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10522
PNG
(N-{7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES Clc1cc(Cl)c2c(SCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H37Cl2N3S/c34-22-20-26(35)31-30(21-22)38-29-17-9-6-14-25(29)33(31)39-19-11-3-1-2-10-18-36-32-23-12-4-7-15-27(23)37-28-16-8-5-13-24(28)32/h4,7,12,15,20-21H,1-3,5-6,8-11,13-14,16-19H2,(H,36,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
80 -9.67n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8962
PNG
(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

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



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10519
PNG
(CHEMBL51350 | N-{7-[(6,8-dichloro-1,2,3,4-tetrahyd...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38Cl2N4/c34-22-20-26(35)31-30(21-22)39-29-17-9-6-14-25(29)33(31)37-19-11-3-1-2-10-18-36-32-23-12-4-7-15-27(23)38-28-16-8-5-13-24(28)32/h4,7,12,15,20-21H,1-3,5-6,8-11,13-14,16-19H2,(H,36,38)(H,37,39)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
180 -9.19n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10523
PNG
(6,8-dichloro-N-[7-(1,2,3,4-tetrahydroacridin-9-yls...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCSc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H37Cl2N3S/c34-22-20-26(35)31-30(21-22)38-27-15-7-4-12-23(27)32(31)36-18-10-2-1-3-11-19-39-33-24-13-5-8-16-28(24)37-29-17-9-6-14-25(29)33/h5,8,13,16,20-21H,1-4,6-7,9-12,14-15,17-19H2,(H,36,38)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
250 -9.00n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10520
PNG
(9-{[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hept...)
Show SMILES C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H38N2S2/c1(2-12-22-36-32-24-14-4-8-18-28(24)34-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)35-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
380 -8.75n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
640n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


J Med Chem 48: 1919-29 (2005)


Article DOI: 10.1021/jm049510k
BindingDB Entry DOI: 10.7270/Q27P8WMJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10518
PNG
(6,8-dichloro-N-{7-[(6,8-dichloro-1,2,3,4-tetrahydr...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H36Cl4N4/c34-20-16-24(36)30-28(18-20)40-26-12-6-4-10-22(26)32(30)38-14-8-2-1-3-9-15-39-33-23-11-5-7-13-27(23)41-29-19-21(35)17-25(37)31(29)33/h16-19H,1-15H2,(H,38,40)(H,39,41)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+4>-6.41n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9007
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H36N4O/c35-29(31-20-18-22-21-33-26-14-7-4-11-23(22)26)17-3-1-2-10-19-32-30-24-12-5-8-15-27(24)34-28-16-9-6-13-25(28)30/h4-5,7-8,11-12,14-15,21,33H,1-3,6,9-10,13,16-20H2,(H,31,35)(H,32,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9013
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C30H36N4O2/c1-36-22-14-15-26-25(19-22)21(20-33-26)16-18-31-29(35)13-3-2-8-17-32-30-23-9-4-6-11-27(23)34-28-12-7-5-10-24(28)30/h4,6,9,11,14-15,19-20,33H,2-3,5,7-8,10,12-13,16-18H2,1H3,(H,31,35)(H,32,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9014
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9018
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9008
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-6-4-9-23(26)29(24)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9011
PNG
(6-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
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


Similars

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



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9006
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H34N4O/c34-28(30-19-17-21-20-32-25-13-6-3-10-22(21)25)16-2-1-9-18-31-29-23-11-4-7-14-26(23)33-27-15-8-5-12-24(27)29/h3-4,6-7,10-11,13-14,20,32H,1-2,5,8-9,12,15-19H2,(H,30,34)(H,31,33)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10742
PNG
(1-amino-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarb...)
Show SMILES CN(C)C(=O)Oc1cccc2C(N)CCc12
Show InChI InChI=1S/C12H16N2O2/c1-14(2)12(15)16-11-5-3-4-8-9(11)6-7-10(8)13/h3-5,10H,6-7,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9010
PNG
(6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12
Show InChI InChI=1S/C29H33ClN4O/c30-23-11-8-14-26-28(23)29(22-10-4-6-13-25(22)34-26)32-17-7-1-2-15-27(35)31-18-16-20-19-33-24-12-5-3-9-21(20)24/h3,5,8-9,11-12,14,19,33H,1-2,4,6-7,10,13,15-18H2,(H,31,35)(H,32,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10784
PNG
(1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CCN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
Show InChI InChI=1S/C16H20N2O2/c1-4-11-17-14-10-9-13-12(14)7-6-8-15(13)20-16(19)18(3)5-2/h1,6-8,14,17H,5,9-11H2,2-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9016
PNG
(6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1
Show InChI InChI=1S/C30H35ClN4O2/c1-37-21-13-14-25-23(18-21)20(19-34-25)15-17-32-28(36)12-3-2-6-16-33-30-22-8-4-5-10-26(22)35-27-11-7-9-24(31)29(27)30/h7,9,11,13-14,18-19,34H,2-6,8,10,12,15-17H2,1H3,(H,32,36)(H,33,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10743
PNG
(1-amino-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methyl...)
Show SMILES CCN(C)C(=O)Oc1cccc2C(N)CCc12
Show InChI InChI=1S/C13H18N2O2/c1-3-15(2)13(16)17-12-6-4-5-9-10(12)7-8-11(9)14/h4-6,11H,3,7-8,14H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9015
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1
Show InChI InChI=1S/C30H35ClN4O2/c1-37-22-11-13-26-25(18-22)20(19-34-26)14-16-32-29(36)9-3-2-6-15-33-30-23-7-4-5-8-27(23)35-28-17-21(31)10-12-24(28)30/h10-13,17-19,34H,2-9,14-16H2,1H3,(H,32,36)(H,33,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9017
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1
Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10813
PNG
(3-[2-(prop-2-yn-1-ylamino)ethyl]phenyl N,N-dimethy...)
Show SMILES CN(C)C(=O)Oc1cccc(CCNCC#C)c1
Show InChI InChI=1S/C14H18N2O2/c1-4-9-15-10-8-12-6-5-7-13(11-12)18-14(17)16(2)3/h1,5-7,11,15H,8-10H2,2-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 96 total )  |  Next  |  Last  >>
Jump to: