Found 3 hits 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 |
Cholinesterases
(481/543 = 89%)† (Homo sapiens (Human)) | BDBM50035852
 (HI-6)Show InChI InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.36E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Inhibition of human acetylcholinesterase by Ellman's method |
Bioorg Med Chem Lett 24: 5743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.055 BindingDB Entry DOI: 10.7270/Q28G8N9V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(481/543 = 89%)† (Homo sapiens (Human)) | BDBM50035852
 (HI-6)Show InChI InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 9.30E+4 | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant |
Bioorg Med Chem Lett 24: 5743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.055 BindingDB Entry DOI: 10.7270/Q28G8N9V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(481/543 = 89%)† (Homo sapiens (Human)) | BDBM50035852
 (HI-6)Show InChI InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant |
Bioorg Med Chem Lett 24: 5743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.055 BindingDB Entry DOI: 10.7270/Q28G8N9V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |