Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50045204 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50049862
(CHEMBL3322232)Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C35H33Cl2N5O/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43) | 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/a | n/a | 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50049859
(CHEMBL3322231)Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H43Cl2N5O/c41-28-16-13-26(14-17-28)37-32-11-9-23-44-39(32)33-24-27(15-20-35(33)47-37)40(48)45-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)46-36-25-29(42)18-19-31(36)38/h13-20,24-25,44H,1-12,21-23H2,(H,43,46)(H,45,48) | 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/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8987
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50049861
(CHEMBL3322233)Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C36H35Cl2N5O/c37-24-12-9-22(10-13-24)33-28-7-5-19-40-35(28)29-20-23(11-16-31(29)43-33)36(44)41-18-4-3-17-39-34-26-6-1-2-8-30(26)42-32-21-25(38)14-15-27(32)34/h9-16,20-21,40H,1-8,17-19H2,(H,39,42)(H,41,44) | 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/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50049860
(CHEMBL3322234)Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C37H37Cl2N5O/c38-25-13-10-23(11-14-25)34-29-8-6-20-41-36(29)30-21-24(12-17-32(30)44-34)37(45)42-19-5-1-4-18-40-35-27-7-2-3-9-31(27)43-33-22-26(39)15-16-28(33)35/h10-17,21-22,41H,1-9,18-20H2,(H,40,43)(H,42,45) | 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/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM31895
(Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....)Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50448131
(CHEMBL3122167)Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(H,23,26) | 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/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM8987
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50049862
(CHEMBL3322232)Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C35H33Cl2N5O/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50049861
(CHEMBL3322233)Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C36H35Cl2N5O/c37-24-12-9-22(10-13-24)33-28-7-5-19-40-35(28)29-20-23(11-16-31(29)43-33)36(44)41-18-4-3-17-39-34-26-6-1-2-8-30(26)42-32-21-25(38)14-15-27(32)34/h9-16,20-21,40H,1-8,17-19H2,(H,39,42)(H,41,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM31895
(Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....)Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50049859
(CHEMBL3322231)Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H43Cl2N5O/c41-28-16-13-26(14-17-28)37-32-11-9-23-44-39(32)33-24-27(15-20-35(33)47-37)40(48)45-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)46-36-25-29(42)18-19-31(36)38/h13-20,24-25,44H,1-12,21-23H2,(H,43,46)(H,45,48) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 286 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50049860
(CHEMBL3322234)Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C37H37Cl2N5O/c38-25-13-10-23(11-14-25)34-29-8-6-20-41-36(29)30-21-24(12-17-32(30)44-34)37(45)42-19-5-1-4-18-40-35-27-7-2-3-9-31(27)43-33-22-26(39)15-16-28(33)35/h10-17,21-22,41H,1-9,18-20H2,(H,40,43)(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 337 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50448131
(CHEMBL3122167)Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis |
Eur J Med Chem 84: 107-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF |
More data for this
Ligand-Target Pair | |
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