Found 9 hits of Enzyme Inhibition Constant Data 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
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50206194
(CHEMBL394901 | methyl 2-(2-(4-formylphenoxy)acetam...)Show InChI InChI=1S/C13H15NO5/c1-9(13(17)18-2)14-12(16)8-19-11-5-3-10(7-15)4-6-11/h3-7,9H,8H2,1-2H3,(H,14,16) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Bioorg Med Chem Lett 17: 2123-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50206197
(CHEMBL235565 | methyl 2-(2-(4-formylphenoxy)acetam...)Show SMILES COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(C=O)cc1 |w:4.4| Show InChI InChI=1S/C21H20N2O5/c1-27-21(26)19(10-15-11-22-18-5-3-2-4-17(15)18)23-20(25)13-28-16-8-6-14(12-24)7-9-16/h2-9,11-12,19,22H,10,13H2,1H3,(H,23,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Bioorg Med Chem Lett 17: 2123-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM10404
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1 | PDB MMDB
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 | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Bioorg Med Chem Lett 17: 2123-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50206198
(CHEMBL396941 | methyl 2-(2-(4-formylphenoxy)acetam...)Show SMILES COC(=O)C(Cc1ccccc1)NC(=O)COc1ccc(C=O)cc1 |w:4.4| Show InChI InChI=1S/C19H19NO5/c1-24-19(23)17(11-14-5-3-2-4-6-14)20-18(22)13-25-16-9-7-15(12-21)8-10-16/h2-10,12,17H,11,13H2,1H3,(H,20,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Bioorg Med Chem Lett 17: 2123-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ |
More data for this Ligand-Target Pair | |
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM10404
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of BuChE in horse serum |
Bioorg Med Chem Lett 17: 2123-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ |
More data for this Ligand-Target Pair | |
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM50206197
(CHEMBL235565 | methyl 2-(2-(4-formylphenoxy)acetam...)Show SMILES COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(C=O)cc1 |w:4.4| Show InChI InChI=1S/C21H20N2O5/c1-27-21(26)19(10-15-11-22-18-5-3-2-4-17(15)18)23-20(25)13-28-16-8-6-14(12-24)7-9-16/h2-9,11-12,19,22H,10,13H2,1H3,(H,23,25) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of BuChE in horse serum |
Bioorg Med Chem Lett 17: 2123-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50206195
(CHEMBL232590 | methyl 2-(2-(4-formylphenoxy)acetam...)Show InChI InChI=1S/C12H13NO5/c1-17-12(16)6-13-11(15)8-18-10-4-2-9(7-14)3-5-10/h2-5,7H,6,8H2,1H3,(H,13,15) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Bioorg Med Chem Lett 17: 2123-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50206196
(CHEMBL235564 | dimethyl 2-(2-(4-formylphenoxy)acet...)Show SMILES COC(=O)CCC(NC(=O)COc1ccc(C=O)cc1)C(=O)OC |w:6.6| Show InChI InChI=1S/C16H19NO7/c1-22-15(20)8-7-13(16(21)23-2)17-14(19)10-24-12-5-3-11(9-18)4-6-12/h3-6,9,13H,7-8,10H2,1-2H3,(H,17,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Bioorg Med Chem Lett 17: 2123-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50177411
(4-formylphenol | 4-hydroxybenzaldehyde | CHEMBL141...)Show InChI InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Bioorg Med Chem Lett 17: 2123-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ |
More data for this Ligand-Target Pair | |