Found 8 hits with Last Name = 'miles' and Initial = 'ja' 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 |
Cholinesterase
(Equus caballus (Horse)) | BDBM50554314
(CHEMBL4764997)Show SMILES COc1ccc(cc1)-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Mixed inhibition of equine serum BChE using butyrylthiocholine iodide as substrate |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127609 BindingDB Entry DOI: 10.7270/Q23R0XH1 |
More data for this Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of equine serum BuChE |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127609 BindingDB Entry DOI: 10.7270/Q23R0XH1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human BuChE at 10 uM |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127609 BindingDB Entry DOI: 10.7270/Q23R0XH1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant AChE |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127609 BindingDB Entry DOI: 10.7270/Q23R0XH1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of electric eel AChE |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127609 BindingDB Entry DOI: 10.7270/Q23R0XH1 |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50554314
(CHEMBL4764997)Show SMILES COc1ccc(cc1)-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human BuChE at 10 uM |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127609 BindingDB Entry DOI: 10.7270/Q23R0XH1 |
More data for this Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50554314
(CHEMBL4764997)Show SMILES COc1ccc(cc1)-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of equine serum BuChE |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127609 BindingDB Entry DOI: 10.7270/Q23R0XH1 |
More data for this Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50554315
(CHEMBL1728093) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of equine serum BuChE |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127609 BindingDB Entry DOI: 10.7270/Q23R0XH1 |
More data for this Ligand-Target Pair | |