Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50031172 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)) | BDBM50022772
(CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...)Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
| DrugBank Article PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308513
((3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-...)Show SMILES CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/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
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308515
(2-Methoxy-7-methyl-2-oxo-2,3,4,5-tetrahydro-2lambd...)Show InChI InChI=1S/C9H15O5P/c1-7-8(9(10)12-2)5-4-6-15(11,13-3)14-7/h4-6H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308513
((3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-...)Show SMILES CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/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
| 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308517
(2-Methoxy-6-methyl-2-oxo-3,4-dihydro-2H-2lambda*5*...)Show InChI InChI=1S/C8H13O5P/c1-6-7(8(9)11-2)4-5-14(10,12-3)13-6/h4-5,10,14H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308520
(CHEMBL603622 | cyclophostin)Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50022772
(CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...)Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
| DrugBank Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308513
((3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-...)Show SMILES CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308517
(2-Methoxy-6-methyl-2-oxo-3,4-dihydro-2H-2lambda*5*...)Show InChI InChI=1S/C8H13O5P/c1-6-7(8(9)11-2)4-5-14(10,12-3)13-6/h4-5,10,14H,1-3H3 | 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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308514
((2R,6R)-6-Benzyloxymethyl-2-methoxy-4-methyl-2-oxo...)Show SMILES COC(=O)C1=C(C)O[P@](=O)(CC[C@H]1COCc1ccccc1)OC |r,c:4| Show InChI InChI=1S/C17H23O6P/c1-13-16(17(18)20-2)15(9-10-24(19,21-3)23-13)12-22-11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3/t15-,24-/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 | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308515
(2-Methoxy-7-methyl-2-oxo-2,3,4,5-tetrahydro-2lambd...)Show InChI InChI=1S/C9H15O5P/c1-7-8(9(10)12-2)5-4-6-15(11,13-3)14-7/h4-6H2,1-3H3 | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308513
((3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-...)Show SMILES CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/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 | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308514
((2R,6R)-6-Benzyloxymethyl-2-methoxy-4-methyl-2-oxo...)Show SMILES COC(=O)C1=C(C)O[P@](=O)(CC[C@H]1COCc1ccccc1)OC |r,c:4| Show InChI InChI=1S/C17H23O6P/c1-13-16(17(18)20-2)15(9-10-24(19,21-3)23-13)12-22-11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3/t15-,24-/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 | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308519
((E)-Dimethyl 1-(2-oxodihydrofuran-3(2H)-ylidene)et...)Show InChI InChI=1S/C8H13O6P/c1-6(7-4-5-13-8(7)9)14-15(10,11-2)12-3/h4-5H2,1-3H3/b7-6+ | 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 | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308516
((2-Methoxy-7-methyl-2-oxo-2,3,4,5-tetrahydro-2lamb...)Show InChI InChI=1S/C8H15O4P/c1-7-8(6-9)4-3-5-13(10,11-2)12-7/h9H,3-6H2,1-2H3 | 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 | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50308518
((Z)-Dimethyl 1-(2-oxodihydrofuran-3(2H)-ylidene)et...)Show InChI InChI=1S/C8H13O6P/c1-6(7-4-5-13-8(7)9)14-15(10,11-2)12-3/h4-5H2,1-3H3/b7-6- | 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 | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method |
Bioorg Med Chem 18: 2265-74 (2010)
Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP |
More data for this Ligand-Target Pair | |