Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50040241 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)) | BDBM50391207
(CHEMBL2088785)Show InChI InChI=1S/C22H26N6/c23-14-19-13-20(15-24)22(27-21(19)25)26-10-4-7-17-8-11-28(12-9-17)16-18-5-2-1-3-6-18/h1-3,5-6,13,17H,4,7-12,16H2,(H3,25,26,27) | 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 | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
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
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50391208
(CHEMBL2088786)Show SMILES Nc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C23H28N6/c24-15-20-14-21(16-25)23(28-22(20)26)27-11-5-4-6-18-9-12-29(13-10-18)17-19-7-2-1-3-8-19/h1-3,7-8,14,18H,4-6,9-13,17H2,(H3,26,27,28) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50391204
(CHEMBL2088782)Show SMILES Nc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C29H32N6/c30-19-25-27(24-12-5-2-6-13-24)26(20-31)29(34-28(25)32)33-16-8-7-9-22-14-17-35(18-15-22)21-23-10-3-1-4-11-23/h1-6,10-13,22H,7-9,14-18,21H2,(H3,32,33,34) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50391206
(CHEMBL2088784)Show InChI InChI=1S/C21H24N6/c22-13-18-12-19(14-23)21(26-20(18)24)25-9-6-16-7-10-27(11-8-16)15-17-4-2-1-3-5-17/h1-5,12,16H,6-11,15H2,(H3,24,25,26) | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50391203
(CHEMBL2088781)Show SMILES Nc1nc(NCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C28H30N6/c29-18-24-26(23-11-5-2-6-12-23)25(19-30)28(33-27(24)31)32-15-7-10-21-13-16-34(17-14-21)20-22-8-3-1-4-9-22/h1-6,8-9,11-12,21H,7,10,13-17,20H2,(H3,31,32,33) | 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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50391206
(CHEMBL2088784)Show InChI InChI=1S/C21H24N6/c22-13-18-12-19(14-23)21(26-20(18)24)25-9-6-16-7-10-27(11-8-16)15-17-4-2-1-3-5-17/h1-5,12,16H,6-11,15H2,(H3,24,25,26) | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50391202
(CHEMBL2088780)Show SMILES Nc1nc(NCCC2CCN(Cc3ccccc3)CC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C27H28N6/c28-17-23-25(22-9-5-2-6-10-22)24(18-29)27(32-26(23)30)31-14-11-20-12-15-33(16-13-20)19-21-7-3-1-4-8-21/h1-10,20H,11-16,19H2,(H3,30,31,32) | 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50391204
(CHEMBL2088782)Show SMILES Nc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C29H32N6/c30-19-25-27(24-12-5-2-6-13-24)26(20-31)29(34-28(25)32)33-16-8-7-9-22-14-17-35(18-15-22)21-23-10-3-1-4-11-23/h1-6,10-13,22H,7-9,14-18,21H2,(H3,32,33,34) | 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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50391202
(CHEMBL2088780)Show SMILES Nc1nc(NCCC2CCN(Cc3ccccc3)CC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C27H28N6/c28-17-23-25(22-9-5-2-6-10-22)24(18-29)27(32-26(23)30)31-14-11-20-12-15-33(16-13-20)19-21-7-3-1-4-8-21/h1-10,20H,11-16,19H2,(H3,30,31,32) | 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 | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50391203
(CHEMBL2088781)Show SMILES Nc1nc(NCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C28H30N6/c29-18-24-26(23-11-5-2-6-12-23)25(19-30)28(33-27(24)31)32-15-7-10-21-13-16-34(17-14-21)20-22-8-3-1-4-9-22/h1-6,8-9,11-12,21H,7,10,13-17,20H2,(H3,31,32,33) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50391208
(CHEMBL2088786)Show SMILES Nc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C23H28N6/c24-15-20-14-21(16-25)23(28-22(20)26)27-11-5-4-6-18-9-12-29(13-10-18)17-19-7-2-1-3-8-19/h1-3,7-8,14,18H,4-6,9-13,17H2,(H3,26,27,28) | 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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50391205
(CHEMBL2088783)Show InChI InChI=1S/C19H20N6/c20-11-15-10-16(12-21)19(24-18(15)22)23-17-6-8-25(9-7-17)13-14-4-2-1-3-5-14/h1-5,10,17H,6-9,13H2,(H3,22,23,24) | 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 | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50391207
(CHEMBL2088785)Show InChI InChI=1S/C22H26N6/c23-14-19-13-20(15-24)22(27-21(19)25)26-10-4-7-17-8-11-28(12-9-17)16-18-5-2-1-3-6-18/h1-3,5-6,13,17H,4,7-12,16H2,(H3,25,26,27) | 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 | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50391201
(CHEMBL2088687)Show SMILES Nc1nc(NC2CCN(Cc3ccccc3)CC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C25H24N6/c26-15-21-23(19-9-5-2-6-10-19)22(16-27)25(30-24(21)28)29-20-11-13-31(14-12-20)17-18-7-3-1-4-8-18/h1-10,20H,11-14,17H2,(H3,28,29,30) | 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 | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50391201
(CHEMBL2088687)Show SMILES Nc1nc(NC2CCN(Cc3ccccc3)CC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C25H24N6/c26-15-21-23(19-9-5-2-6-10-19)22(16-27)25(30-24(21)28)29-20-11-13-31(14-12-20)17-18-7-3-1-4-8-18/h1-10,20H,11-14,17H2,(H3,28,29,30) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50324049
(2-Amino-6-(pyrrolidin-1'-yl)pyridine-3,5-dicarboni...)Show InChI InChI=1S/C11H11N5/c12-6-8-5-9(7-13)11(15-10(8)14)16-3-1-2-4-16/h5H,1-4H2,(H2,14,15) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of equine BChE |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50391205
(CHEMBL2088783)Show InChI InChI=1S/C19H20N6/c20-11-15-10-16(12-21)19(24-18(15)22)23-17-6-8-25(9-7-17)13-14-4-2-1-3-5-14/h1-5,10,17H,6-9,13H2,(H3,22,23,24) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair | |