BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 33 hits from COBRA-CNRS UMR 6014& FR 3038   
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
Acetylcholinesterase


(Homo sapiens (human))
BDBM50369748
PNG
(CHEMBL208599)
Show SMILES CCC1=CC2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11?,12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.84n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298409
PNG
((+/-)-3-chloro-6,7,10,11-tetrahydro-N-(2-(4-(6-(3,...)
Show SMILES COc1cc2CCN(CCCCCCc3cn(CCNc4c5C6CC(Cc5nc5cc(Cl)ccc45)C=C(C)C6)nn3)C(c3cccc(c3)[N+]([O-])=O)c2cc1OC
Show InChI InChI=1S/C44H50ClN7O4/c1-28-19-29-21-32(20-28)42-39(22-29)47-38-25-33(45)12-13-36(38)43(42)46-15-18-51-27-34(48-49-51)10-6-4-5-7-16-50-17-14-30-24-40(55-2)41(56-3)26-37(30)44(50)31-9-8-11-35(23-31)52(53)54/h8-9,11-13,19,23-27,29,32,44H,4-7,10,14-18,20-22H2,1-3H3,(H,46,47)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.95n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298408
PNG
((+/-)-3-chloro-6,7,10,11-tetrahydro-N-(2-(4-(6-(3,...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCn1cc(CCCCCCN2CCc3cc(OC)c(OC)cc3C2c2cccc(c2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C45H52ClN7O4/c1-4-29-20-30-22-33(21-29)43-40(23-30)48-39-26-34(46)13-14-37(39)44(43)47-16-19-52-28-35(49-50-52)11-7-5-6-8-17-51-18-15-31-25-41(56-2)42(57-3)27-38(31)45(51)32-10-9-12-36(24-32)53(54)55/h9-10,12-14,20,24-28,30,33,45H,4-8,11,15-19,21-23H2,1-3H3,(H,47,48)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.96n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298403
PNG
((+/-)-N-(2-Hydroxyethyl)-3-chloro-6,7,10,11-tetrah...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCO
Show InChI InChI=1S/C20H23ClN2O/c1-2-12-7-13-9-14(8-12)19-18(10-13)23-17-11-15(21)3-4-16(17)20(19)22-5-6-24/h3-4,7,11,13-14,24H,2,5-6,8-10H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.75n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298405
PNG
((+/-)-N-(2-azidoethyl)-3-chloro-6,7,10,11-tetrahyd...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCN=[N+]=[N-]
Show InChI InChI=1S/C19H20ClN5/c1-11-6-12-8-13(7-11)18-17(9-12)24-16-10-14(20)2-3-15(16)19(18)22-4-5-23-25-21/h2-3,6,10,12-13H,4-5,7-9H2,1H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.69n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298402
PNG
((+/-)-N-(2-Hydroxyethyl)-3-chloro-6,7,10,11-tetrah...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCO
Show InChI InChI=1S/C19H21ClN2O/c1-11-6-12-8-13(7-11)18-17(9-12)22-16-10-14(20)2-3-15(16)19(18)21-4-5-23/h2-3,6,10,12-13,23H,4-5,7-9H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.66n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298406
PNG
((+/-)-N-(2-azidoethyl)-3-chloro-6,7,10,11-tetrahyd...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCN=[N+]=[N-]
Show InChI InChI=1S/C20H22ClN5/c1-2-12-7-13-9-14(8-12)19-18(10-13)25-17-11-15(21)3-4-16(17)20(19)23-5-6-24-26-22/h3-4,7,11,13-14H,2,5-6,8-10H2,1H3,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 13.7n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298404
PNG
((+/-)-N-(2-chloroethyl)-3-chloro-6,7,10,11-tetrahy...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCl
Show InChI InChI=1S/C19H20Cl2N2/c1-11-6-12-8-13(7-11)18-17(9-12)23-16-10-14(21)2-3-15(16)19(18)22-5-4-20/h2-3,6,10,12-13H,4-5,7-9H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 43.3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50298407
PNG
((+/-)-11-Amino-8-methyl-5,6,9,10-tetrahydro-6,10-m...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2ncccc2c1N
Show InChI InChI=1S/C16H17N3/c1-9-5-10-7-11(6-9)14-13(8-10)19-16-12(15(14)17)3-2-4-18-16/h2-5,10-11H,6-8H2,1H3,(H2,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 342n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298388
PNG
((+/-)-11-Amino-8-ethyl-5,6,9,10-tetrahydro-6,10-me...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cnccc2c1N
Show InChI InChI=1S/C17H19N3/c1-2-10-5-11-7-12(6-10)16-14(8-11)20-15-9-19-4-3-13(15)17(16)18/h3-5,9,11-12H,2,6-8H2,1H3,(H2,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 664n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298407
PNG
((+/-)-11-Amino-8-methyl-5,6,9,10-tetrahydro-6,10-m...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2ncccc2c1N
Show InChI InChI=1S/C16H17N3/c1-9-5-10-7-11(6-9)14-13(8-10)19-16-12(15(14)17)3-2-4-18-16/h2-5,10-11H,6-8H2,1H3,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 810n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50298406
PNG
((+/-)-N-(2-azidoethyl)-3-chloro-6,7,10,11-tetrahyd...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCN=[N+]=[N-]
Show InChI InChI=1S/C20H22ClN5/c1-2-12-7-13-9-14(8-12)19-18(10-13)25-17-11-15(21)3-4-16(17)20(19)23-5-6-24-26-22/h3-4,7,11,13-14H,2,5-6,8-10H2,1H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 824n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298387
PNG
((+/-)-11-Amino-8-ethyl-5,6,9,10-tetrahydro-6,10-me...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2ncccc2c1N
Show InChI InChI=1S/C17H19N3/c1-2-10-6-11-8-12(7-10)15-14(9-11)20-17-13(16(15)18)4-3-5-19-17/h3-6,11-12H,2,7-9H2,1H3,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 855n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50298405
PNG
((+/-)-N-(2-azidoethyl)-3-chloro-6,7,10,11-tetrahyd...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCN=[N+]=[N-]
Show InChI InChI=1S/C19H20ClN5/c1-11-6-12-8-13(7-11)18-17(9-12)24-16-10-14(20)2-3-15(16)19(18)22-4-5-23-25-21/h2-3,6,10,12-13H,4-5,7-9H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.35E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298398
PNG
((+/-)-2-Chloro-N-(3-chloro-6,7,10,11-tetrahydro-12...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NC(=O)CCl
Show InChI InChI=1S/C19H18Cl2N2O/c1-10-4-11-6-12(5-10)18-16(7-11)22-15-8-13(21)2-3-14(15)19(18)23-17(24)9-20/h2-4,8,11-12H,5-7,9H2,1H3,(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298410
PNG
(1-(4-nitrophenyl)-6,7-dimethoxy-2-(oct-7-ynyl)-1,2...)
Show SMILES COc1cc2CCN(CCCCCCC#C)C(c3ccc(cc3)[N+]([O-])=O)c2cc1OC
Show InChI InChI=1S/C25H30N2O4/c1-4-5-6-7-8-9-15-26-16-14-20-17-23(30-2)24(31-3)18-22(20)25(26)19-10-12-21(13-11-19)27(28)29/h1,10-13,17-18,25H,5-9,14-16H2,2-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.92E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50298403
PNG
((+/-)-N-(2-Hydroxyethyl)-3-chloro-6,7,10,11-tetrah...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCO
Show InChI InChI=1S/C20H23ClN2O/c1-2-12-7-13-9-14(8-12)19-18(10-13)23-17-11-15(21)3-4-16(17)20(19)22-5-6-24/h3-4,7,11,13-14,24H,2,5-6,8-10H2,1H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.64E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298389
PNG
((+/-)-9-Amino-7-methyl-2,3-dimethylfuro[2,3-b]-4,5...)
Show SMILES Cc1oc2nc3CC4CC(CC(C)=C4)c3c(N)c2c1C
Show InChI InChI=1S/C17H20N2O/c1-8-4-11-6-12(5-8)15-13(7-11)19-17-14(16(15)18)9(2)10(3)20-17/h4,11-12H,5-7H2,1-3H3,(H2,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.78E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298413
PNG
((+/-)-12-Amino-2,3-dimethoxy-9-ethyl-6,7,10,11-tet...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(OC)c(OC)cc2c1N
Show InChI InChI=1S/C20H24N2O2/c1-4-11-5-12-7-13(6-11)19-16(8-12)22-15-10-18(24-3)17(23-2)9-14(15)20(19)21/h5,9-10,12-13H,4,6-8H2,1-3H3,(H2,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298390
PNG
((+/-)-9-Amino-7-ethyl-2,3-dimethylfuro[2,3-b]-4,5,...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2oc(C)c(C)c2c1N
Show InChI InChI=1S/C18H22N2O/c1-4-11-5-12-7-13(6-11)16-14(8-12)20-18-15(17(16)19)9(2)10(3)21-18/h5,12-13H,4,6-8H2,1-3H3,(H2,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.45E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298395
PNG
((+/-)-11-Amino-2-thiopropyl-5,6,9,10-tetrahydro-th...)
Show SMILES CCCSc1nc2nc3CC4CC(CC(CC)=C4)c3c(N)c2s1
Show InChI InChI=1S/C18H23N3S2/c1-3-5-22-18-21-17-16(23-18)15(19)14-12-7-10(4-2)6-11(8-12)9-13(14)20-17/h6,11-12H,3-5,7-9H2,1-2H3,(H2,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.27E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298394
PNG
((+/-)-11-Amino-2-thiopropyl-5,6,9,10-tetrahydro-th...)
Show SMILES CCCSc1nc2nc3CC4CC(CC(C)=C4)c3c(N)c2s1
Show InChI InChI=1S/C17H21N3S2/c1-3-4-21-17-20-16-15(22-17)14(18)13-11-6-9(2)5-10(7-11)8-12(13)19-16/h5,10-11H,3-4,6-8H2,1-2H3,(H2,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.69E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298411
PNG
(1-(3-nitrophenyl)-6,7-dimethoxy-2-(oct-7-ynyl)-1,2...)
Show SMILES COc1cc2CCN(CCCCCCC#C)C(c3cccc(c3)[N+]([O-])=O)c2cc1OC
Show InChI InChI=1S/C25H30N2O4/c1-4-5-6-7-8-9-14-26-15-13-19-17-23(30-2)24(31-3)18-22(19)25(26)20-11-10-12-21(16-20)27(28)29/h1,10-12,16-18,25H,5-9,13-15H2,2-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.08E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298412
PNG
((+/-)-12-Amino-2,3-dimethoxy-9-methyl-6,7,10,11-te...)
Show SMILES COc1cc2nc3CC4CC(CC(C)=C4)c3c(N)c2cc1OC
Show InChI InChI=1S/C19H22N2O2/c1-10-4-11-6-12(5-10)18-15(7-11)21-14-9-17(23-3)16(22-2)8-13(14)19(18)20/h4,8-9,11-12H,5-7H2,1-3H3,(H2,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.17E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298399
PNG
((+/-)-3-Chloro-12-hydroxy-6,7,10,11-tetrahydro-9-m...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1O
Show InChI InChI=1S/C17H16ClNO/c1-9-4-10-6-11(5-9)16-15(7-10)19-14-8-12(18)2-3-13(14)17(16)20/h2-4,8,10-11H,5-7H2,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298401
PNG
((+/-)-3,12-Dichloro-6,7,10,11-tetrahydro-9-ethyl-7...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1Cl
Show InChI InChI=1S/C18H17Cl2N/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.92E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298400
PNG
((+/-)-3,12-Dichloro-6,7,10,11-tetrahydro-9-methyl-...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1Cl
Show InChI InChI=1S/C17H15Cl2N/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.24E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298393
PNG
((+/-)-9-Amino-1-cyclobutyl-oxazolo[4,5-b]-6-methyl...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2oc(nc2c1N)C1CCC1
Show InChI InChI=1S/C18H21N3O/c1-9-5-10-7-12(6-9)14-13(8-10)20-18-16(15(14)19)21-17(22-18)11-3-2-4-11/h5,10-12H,2-4,6-8H2,1H3,(H2,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.71E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298392
PNG
((+/-)-9-Amino-1-cyclopropyl-oxazolo[4,5-b]-6-ethyl...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2oc(nc2c1N)C1CC1
Show InChI InChI=1S/C18H21N3O/c1-2-9-5-10-7-12(6-9)14-13(8-10)20-18-16(15(14)19)21-17(22-18)11-3-4-11/h5,10-12H,2-4,6-8H2,1H3,(H2,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298396
PNG
((+/-)-9-Amino-1-(methylthio)-1H-pyrazolo[3,4-b]-3,...)
Show SMILES CSc1n[nH]c2nc3CC4CC(CC(C)=C4)c3c(N)c12
Show InChI InChI=1S/C15H18N4S/c1-7-3-8-5-9(4-7)11-10(6-8)17-14-12(13(11)16)15(20-2)19-18-14/h3,8-9H,4-6H2,1-2H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298397
PNG
((+/-)-9-Amino-1H-pyrazolo[3,4-b]-3,4,7,8-tetrahydr...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2[nH]ncc2c1N
Show InChI InChI=1S/C14H16N4/c1-7-2-8-4-9(3-7)12-11(5-8)17-14-10(13(12)15)6-16-18-14/h2,6,8-9H,3-5H2,1H3,(H3,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50298391
PNG
((+/-)-9-Amino-1-cyclopropyl-oxazolo[4,5-b]-6-methy...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2oc(nc2c1N)C1CC1
Show InChI InChI=1S/C17H19N3O/c1-8-4-9-6-11(5-8)13-12(7-9)19-17-15(14(13)18)20-16(21-17)10-2-3-10/h4,9-11H,2-3,5-7H2,1H3,(H2,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay


Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair