Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50042396 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)) | BDBM8960
((+/-)-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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425411
(CHEMBL2312573)Show SMILES Oc1ccc([C@@H]2CC(N=N2)c2c3ccccc3cc3ccccc23)c(O)c1 |r,c:8| Show InChI InChI=1S/C23H18N2O2/c26-16-9-10-19(22(27)12-16)20-13-21(25-24-20)23-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)23/h1-12,20-21,26-27H,13H2/t20-,21?/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
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425409
(CHEMBL2312575)Show SMILES [O-][N+](=O)c1cccc(c1)[C@@H]1CC(N=N1)c1c2ccccc2cc2ccccc12 |r,c:13| Show InChI InChI=1S/C23H17N3O2/c27-26(28)18-9-5-8-17(13-18)21-14-22(25-24-21)23-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)23/h1-13,21-22H,14H2/t21-,22?/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
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425412
(CHEMBL2312285)Show SMILES Oc1ccccc1[C@@H]1CC(N=N1)c1c2ccccc2cc2ccccc12 |r,c:11| Show InChI InChI=1S/C23H18N2O/c26-22-12-6-5-11-19(22)20-14-21(25-24-20)23-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)23/h1-13,20-21,26H,14H2/t20-,21?/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
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425408
(CHEMBL2312576)Show SMILES COc1ccc(cc1)[C@@H]1CC(N=N1)c1c2ccccc2cc2ccccc12 |r,c:12| Show InChI InChI=1S/C24H20N2O/c1-27-19-12-10-16(11-13-19)22-15-23(26-25-22)24-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)24/h2-14,22-23H,15H2,1H3/t22-,23?/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
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425417
(CHEMBL2312282)Show SMILES Clc1ccc(cc1)[C@@H]1CC(N=N1)c1c2ccccc2cc2ccccc12 |r,c:11| Show InChI InChI=1S/C23H17ClN2/c24-18-11-9-15(10-12-18)21-14-22(26-25-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-13,21-22H,14H2/t21-,22?/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
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425413
(CHEMBL2312284)Show SMILES C1[C@H](N=NC1c1c2ccccc2cc2ccccc12)c1ccccc1 |r,c:2| Show InChI InChI=1S/C23H18N2/c1-2-8-16(9-3-1)21-15-22(25-24-21)23-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)23/h1-14,21-22H,15H2/t21-,22?/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
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425410
(CHEMBL2312574)Show SMILES C1[C@H](N=NC1c1c2ccccc2cc2ccccc12)c1ccccn1 |r,c:2| Show InChI InChI=1S/C22H17N3/c1-3-9-17-15(7-1)13-16-8-2-4-10-18(16)22(17)21-14-20(24-25-21)19-11-5-6-12-23-19/h1-13,20-21H,14H2/t20-,21?/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
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425414
(CHEMBL2312283)Show SMILES Cc1ccc(cc1)[C@@H]1CC(N=N1)c1c2ccccc2cc2ccccc12 |r,c:11| Show InChI InChI=1S/C24H20N2/c1-16-10-12-17(13-11-16)22-15-23(26-25-22)24-20-8-4-2-6-18(20)14-19-7-3-5-9-21(19)24/h2-14,22-23H,15H2,1H3/t22-,23?/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
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425415
(CHEMBL2312577)Show SMILES [O-][N+](=O)c1ccc(cc1)[C@@H]1CC(N=N1)c1c2ccccc2cc2ccccc12 |r,c:13| Show InChI InChI=1S/C23H17N3O2/c27-26(28)18-11-9-15(10-12-18)21-14-22(25-24-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-13,21-22H,14H2/t21-,22?/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
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50425416
(CHEMBL2312578)Show SMILES Oc1ccc(cc1)[C@@H]1CC(N=N1)c1c2ccccc2cc2ccccc12 |r,c:11| Show InChI InChI=1S/C23H18N2O/c26-18-11-9-15(10-12-18)21-14-22(25-24-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-13,21-22,26H,14H2/t21-,22?/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
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100
BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this
Ligand-Target Pair | |
Search and Browse
