Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50031363 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 |
|---|
Cholinesterase
(Equus caballus (Horse)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)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
UniProtKB/SwissProt
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cholinesterase
(Equus caballus (Horse)) | BDBM50311996
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C35H46ClN3O4S/c1-2-3-4-8-21-43-35(42)31(38-34(41)24-30-22-28-11-12-29(36)23-32(28)44-30)13-14-33(40)37-18-15-26-16-19-39(20-17-26)25-27-9-6-5-7-10-27/h5-7,9-12,22-23,26,31H,2-4,8,13-21,24-25H2,1H3,(H,37,40)(H,38,41)/t31-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50311996
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C35H46ClN3O4S/c1-2-3-4-8-21-43-35(42)31(38-34(41)24-30-22-28-11-12-29(36)23-32(28)44-30)13-14-33(40)37-18-15-26-16-19-39(20-17-26)25-27-9-6-5-7-10-27/h5-7,9-12,22-23,26,31H,2-4,8,13-21,24-25H2,1H3,(H,37,40)(H,38,41)/t31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50311996
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C35H46ClN3O4S/c1-2-3-4-8-21-43-35(42)31(38-34(41)24-30-22-28-11-12-29(36)23-32(28)44-30)13-14-33(40)37-18-15-26-16-19-39(20-17-26)25-27-9-6-5-7-10-27/h5-7,9-12,22-23,26,31H,2-4,8,13-21,24-25H2,1H3,(H,37,40)(H,38,41)/t31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50311999
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc(Br)cs1 |r| Show InChI InChI=1S/C30H42BrN3O4S/c1-2-3-4-8-19-38-30(37)26(33-29(36)27-20-25(31)22-39-27)11-12-28(35)32-16-13-23-14-17-34(18-15-23)21-24-9-6-5-7-10-24/h5-7,9-10,20,22-23,26H,2-4,8,11-19,21H2,1H3,(H,32,35)(H,33,36)/t26-/m0/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/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50311995
((S)-hexyl 2-(benzyloxycarbonylamino)-5-(2-(1-benzy...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H47N3O5/c1-2-3-4-11-24-40-32(38)30(35-33(39)41-26-29-14-9-6-10-15-29)16-17-31(37)34-21-18-27-19-22-36(23-20-27)25-28-12-7-5-8-13-28/h5-10,12-15,27,30H,2-4,11,16-26H2,1H3,(H,34,37)(H,35,39)/t30-/m0/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/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50312000
((S)-hexyl 2-(benzo[b]thiophene-2-carboxamido)-5-(2...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C34H45N3O4S/c1-2-3-4-10-23-41-34(40)29(36-33(39)31-24-28-13-8-9-14-30(28)42-31)15-16-32(38)35-20-17-26-18-21-37(22-19-26)25-27-11-6-5-7-12-27/h5-9,11-14,24,26,29H,2-4,10,15-23,25H2,1H3,(H,35,38)(H,36,39)/t29-/m0/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/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50312002
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccsc2s1 |r| Show InChI InChI=1S/C32H43N3O4S2/c1-2-3-4-8-20-39-31(38)27(34-30(37)28-22-26-16-21-40-32(26)41-28)11-12-29(36)33-17-13-24-14-18-35(19-15-24)23-25-9-6-5-7-10-25/h5-7,9-10,16,21-22,24,27H,2-4,8,11-15,17-20,23H2,1H3,(H,33,36)(H,34,37)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50312001
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2cccnc2s1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-2-3-4-8-22-41-33(40)28(36-31(39)29-23-27-12-9-18-35-32(27)42-29)13-14-30(38)34-19-15-25-16-20-37(21-17-25)24-26-10-6-5-7-11-26/h5-7,9-12,18,23,25,28H,2-4,8,13-17,19-22,24H2,1H3,(H,34,38)(H,36,39)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50312000
((S)-hexyl 2-(benzo[b]thiophene-2-carboxamido)-5-(2...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C34H45N3O4S/c1-2-3-4-10-23-41-34(40)29(36-33(39)31-24-28-13-8-9-14-30(28)42-31)15-16-32(38)35-20-17-26-18-21-37(22-19-26)25-27-11-6-5-7-12-27/h5-9,11-14,24,26,29H,2-4,10,15-23,25H2,1H3,(H,35,38)(H,36,39)/t29-/m0/s1 | 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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50312002
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccsc2s1 |r| Show InChI InChI=1S/C32H43N3O4S2/c1-2-3-4-8-20-39-31(38)27(34-30(37)28-22-26-16-21-40-32(26)41-28)11-12-29(36)33-17-13-24-14-18-35(19-15-24)23-25-9-6-5-7-10-25/h5-7,9-10,16,21-22,24,27H,2-4,8,11-15,17-20,23H2,1H3,(H,33,36)(H,34,37)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50312001
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2cccnc2s1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-2-3-4-8-22-41-33(40)28(36-31(39)29-23-27-12-9-18-35-32(27)42-29)13-14-30(38)34-19-15-25-16-20-37(21-17-25)24-26-10-6-5-7-11-26/h5-7,9-12,18,23,25,28H,2-4,8,13-17,19-22,24H2,1H3,(H,34,38)(H,36,39)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50311998
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cccs1 |r| Show InChI InChI=1S/C30H43N3O4S/c1-2-3-4-8-21-37-30(36)26(32-29(35)27-12-9-22-38-27)13-14-28(34)31-18-15-24-16-19-33(20-17-24)23-25-10-6-5-7-11-25/h5-7,9-12,22,24,26H,2-4,8,13-21,23H2,1H3,(H,31,34)(H,32,35)/t26-/m0/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/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50311997
((S)-hexyl 2-benzamido-5-(2-(1-benzylpiperidin-4-yl...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C32H45N3O4/c1-2-3-4-11-24-39-32(38)29(34-31(37)28-14-9-6-10-15-28)16-17-30(36)33-21-18-26-19-22-35(23-20-26)25-27-12-7-5-8-13-27/h5-10,12-15,26,29H,2-4,11,16-25H2,1H3,(H,33,36)(H,34,37)/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50312000
((S)-hexyl 2-(benzo[b]thiophene-2-carboxamido)-5-(2...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C34H45N3O4S/c1-2-3-4-10-23-41-34(40)29(36-33(39)31-24-28-13-8-9-14-30(28)42-31)15-16-32(38)35-20-17-26-18-21-37(22-19-26)25-27-11-6-5-7-12-27/h5-9,11-14,24,26,29H,2-4,10,15-23,25H2,1H3,(H,35,38)(H,36,39)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50312002
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccsc2s1 |r| Show InChI InChI=1S/C32H43N3O4S2/c1-2-3-4-8-20-39-31(38)27(34-30(37)28-22-26-16-21-40-32(26)41-28)11-12-29(36)33-17-13-24-14-18-35(19-15-24)23-25-9-6-5-7-10-25/h5-7,9-10,16,21-22,24,27H,2-4,8,11-15,17-20,23H2,1H3,(H,33,36)(H,34,37)/t27-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50311995
((S)-hexyl 2-(benzyloxycarbonylamino)-5-(2-(1-benzy...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H47N3O5/c1-2-3-4-11-24-40-32(38)30(35-33(39)41-26-29-14-9-6-10-15-29)16-17-31(37)34-21-18-27-19-22-36(23-20-27)25-28-12-7-5-8-13-28/h5-10,12-15,27,30H,2-4,11,16-26H2,1H3,(H,34,37)(H,35,39)/t30-/m0/s1 | 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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50311995
((S)-hexyl 2-(benzyloxycarbonylamino)-5-(2-(1-benzy...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H47N3O5/c1-2-3-4-11-24-40-32(38)30(35-33(39)41-26-29-14-9-6-10-15-29)16-17-31(37)34-21-18-27-19-22-36(23-20-27)25-28-12-7-5-8-13-28/h5-10,12-15,27,30H,2-4,11,16-26H2,1H3,(H,34,37)(H,35,39)/t30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50311999
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc(Br)cs1 |r| Show InChI InChI=1S/C30H42BrN3O4S/c1-2-3-4-8-19-38-30(37)26(33-29(36)27-20-25(31)22-39-27)11-12-28(35)32-16-13-23-14-17-34(18-15-23)21-24-9-6-5-7-10-24/h5-7,9-10,20,22-23,26H,2-4,8,11-19,21H2,1H3,(H,32,35)(H,33,36)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50312001
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2cccnc2s1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-2-3-4-8-22-41-33(40)28(36-31(39)29-23-27-12-9-18-35-32(27)42-29)13-14-30(38)34-19-15-25-16-20-37(21-17-25)24-26-10-6-5-7-11-26/h5-7,9-12,18,23,25,28H,2-4,8,13-17,19-22,24H2,1H3,(H,34,38)(H,36,39)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50311999
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc(Br)cs1 |r| Show InChI InChI=1S/C30H42BrN3O4S/c1-2-3-4-8-19-38-30(37)26(33-29(36)27-20-25(31)22-39-27)11-12-28(35)32-16-13-23-14-17-34(18-15-23)21-24-9-6-5-7-10-24/h5-7,9-10,20,22-23,26H,2-4,8,11-19,21H2,1H3,(H,32,35)(H,33,36)/t26-/m0/s1 | 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 | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50312001
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2cccnc2s1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-2-3-4-8-22-41-33(40)28(36-31(39)29-23-27-12-9-18-35-32(27)42-29)13-14-30(38)34-19-15-25-16-20-37(21-17-25)24-26-10-6-5-7-11-26/h5-7,9-12,18,23,25,28H,2-4,8,13-17,19-22,24H2,1H3,(H,34,38)(H,36,39)/t28-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50311994
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H49N3O5/c1-5-6-7-11-22-37-28(35)26(32-29(36)38-30(2,3)4)14-15-27(34)31-19-16-24-17-20-33(21-18-24)23-25-12-9-8-10-13-25/h8-10,12-13,24,26H,5-7,11,14-23H2,1-4H3,(H,31,34)(H,32,36)/t26-/m0/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/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human AChE in erythrocyte |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50311998
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cccs1 |r| Show InChI InChI=1S/C30H43N3O4S/c1-2-3-4-8-21-37-30(36)26(32-29(35)27-12-9-22-38-27)13-14-28(34)31-18-15-24-16-19-33(20-17-24)23-25-10-6-5-7-11-25/h5-7,9-12,22,24,26H,2-4,8,13-21,23H2,1H3,(H,31,34)(H,32,35)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50311999
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc(Br)cs1 |r| Show InChI InChI=1S/C30H42BrN3O4S/c1-2-3-4-8-19-38-30(37)26(33-29(36)27-20-25(31)22-39-27)11-12-28(35)32-16-13-23-14-17-34(18-15-23)21-24-9-6-5-7-10-24/h5-7,9-10,20,22-23,26H,2-4,8,11-19,21H2,1H3,(H,32,35)(H,33,36)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50311995
((S)-hexyl 2-(benzyloxycarbonylamino)-5-(2-(1-benzy...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H47N3O5/c1-2-3-4-11-24-40-32(38)30(35-33(39)41-26-29-14-9-6-10-15-29)16-17-31(37)34-21-18-27-19-22-36(23-20-27)25-28-12-7-5-8-13-28/h5-10,12-15,27,30H,2-4,11,16-26H2,1H3,(H,34,37)(H,35,39)/t30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50311997
((S)-hexyl 2-benzamido-5-(2-(1-benzylpiperidin-4-yl...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C32H45N3O4/c1-2-3-4-11-24-39-32(38)29(34-31(37)28-14-9-6-10-15-28)16-17-30(36)33-21-18-26-19-22-35(23-20-26)25-27-12-7-5-8-13-27/h5-10,12-15,26,29H,2-4,11,16-25H2,1H3,(H,33,36)(H,34,37)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50311997
((S)-hexyl 2-benzamido-5-(2-(1-benzylpiperidin-4-yl...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C32H45N3O4/c1-2-3-4-11-24-39-32(38)29(34-31(37)28-14-9-6-10-15-28)16-17-30(36)33-21-18-26-19-22-35(23-20-26)25-27-12-7-5-8-13-27/h5-10,12-15,26,29H,2-4,11,16-25H2,1H3,(H,33,36)(H,34,37)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50311998
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cccs1 |r| Show InChI InChI=1S/C30H43N3O4S/c1-2-3-4-8-21-37-30(36)26(32-29(35)27-12-9-22-38-27)13-14-28(34)31-18-15-24-16-19-33(20-17-24)23-25-10-6-5-7-11-25/h5-7,9-12,22,24,26H,2-4,8,13-21,23H2,1H3,(H,31,34)(H,32,35)/t26-/m0/s1 | 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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50311997
((S)-hexyl 2-benzamido-5-(2-(1-benzylpiperidin-4-yl...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C32H45N3O4/c1-2-3-4-11-24-39-32(38)29(34-31(37)28-14-9-6-10-15-28)16-17-30(36)33-21-18-26-19-22-35(23-20-26)25-27-12-7-5-8-13-27/h5-10,12-15,26,29H,2-4,11,16-25H2,1H3,(H,33,36)(H,34,37)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50311996
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C35H46ClN3O4S/c1-2-3-4-8-21-43-35(42)31(38-34(41)24-30-22-28-11-12-29(36)23-32(28)44-30)13-14-33(40)37-18-15-26-16-19-39(20-17-26)25-27-9-6-5-7-10-27/h5-7,9-12,22-23,26,31H,2-4,8,13-21,24-25H2,1H3,(H,37,40)(H,38,41)/t31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50312000
((S)-hexyl 2-(benzo[b]thiophene-2-carboxamido)-5-(2...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C34H45N3O4S/c1-2-3-4-10-23-41-34(40)29(36-33(39)31-24-28-13-8-9-14-30(28)42-31)15-16-32(38)35-20-17-26-18-21-37(22-19-26)25-27-11-6-5-7-12-27/h5-9,11-14,24,26,29H,2-4,10,15-23,25H2,1H3,(H,35,38)(H,36,39)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50311994
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H49N3O5/c1-5-6-7-11-22-37-28(35)26(32-29(36)38-30(2,3)4)14-15-27(34)31-19-16-24-17-20-33(21-18-24)23-25-12-9-8-10-13-25/h8-10,12-13,24,26H,5-7,11,14-23H2,1-4H3,(H,31,34)(H,32,36)/t26-/m0/s1 | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of human BuChE in serum |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50311998
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cccs1 |r| Show InChI InChI=1S/C30H43N3O4S/c1-2-3-4-8-21-37-30(36)26(32-29(35)27-12-9-22-38-27)13-14-28(34)31-18-15-24-16-19-33(20-17-24)23-25-10-6-5-7-11-25/h5-7,9-12,22,24,26H,2-4,8,13-21,23H2,1H3,(H,31,34)(H,32,35)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50311994
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H49N3O5/c1-5-6-7-11-22-37-28(35)26(32-29(36)38-30(2,3)4)14-15-27(34)31-19-16-24-17-20-33(21-18-24)23-25-12-9-8-10-13-25/h8-10,12-13,24,26H,5-7,11,14-23H2,1-4H3,(H,31,34)(H,32,36)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in horse serum by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50312002
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccsc2s1 |r| Show InChI InChI=1S/C32H43N3O4S2/c1-2-3-4-8-20-39-31(38)27(34-30(37)28-22-26-16-21-40-32(26)41-28)11-12-29(36)33-17-13-24-14-18-35(19-15-24)23-25-9-6-5-7-10-25/h5-7,9-10,16,21-22,24,27H,2-4,8,11-15,17-20,23H2,1H3,(H,33,36)(H,34,37)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50311994
((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...)Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H49N3O5/c1-5-6-7-11-22-37-28(35)26(32-29(36)38-30(2,3)4)14-15-27(34)31-19-16-24-17-20-33(21-18-24)23-25-12-9-8-10-13-25/h8-10,12-13,24,26H,5-7,11,14-23H2,1-4H3,(H,31,34)(H,32,36)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Quimica Medica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of AChE in bovine erythrocyte by Ellman method |
J Med Chem 52: 7249-57 (2009)
Article DOI: 10.1021/jm900628z
BindingDB Entry DOI: 10.7270/Q2668DB1 |
More data for this
Ligand-Target Pair | |
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