BDBM50458949 CHEMBL4216666
SMILES: O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccc(Cl)cc23)ccc1O
InChI Key: InChIKey=AEGVBHAVNJPGMI-VULFUBBASA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50458949 (CHEMBL4216666) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ Grenoble Alpes Curated by ChEMBL | Assay Description Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ... | J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50458949 (CHEMBL4216666) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a |
Universit£ Grenoble Alpes Curated by ChEMBL | Assay Description Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi... | J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50458949 (CHEMBL4216666) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.13E+4 | n/a | n/a | n/a | n/a | n/a |
Universit£ Grenoble Alpes Curated by ChEMBL | Assay Description Reactivation of VX-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins... | J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50458949 (CHEMBL4216666) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Grenoble Alpes Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay | J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50458949 (CHEMBL4216666) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a |
Universit£ Grenoble Alpes Curated by ChEMBL | Assay Description Reactivation of tabun-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 m... | J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2 | |||||||||||
More data for this Ligand-Target Pair |