BDBM50124879 CHEMBL3623551
SMILES: CCC(CC)n1cc(cn1)C(=O)C(F)(F)F
InChI Key: InChIKey=YYGHBQVPXHKCRO-UHFFFAOYSA-N
Data: 4 IC50
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)) | BDBM50124879 (CHEMBL3623551) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE after 10 mins by Ellman assay | Bioorg Med Chem Lett 25: 4405-11 (2015) BindingDB Entry DOI: 10.7270/Q2Z60QV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Anopheles gambiae) | BDBM50124879 (CHEMBL3623551) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech Curated by ChEMBL | Assay Description Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay | Bioorg Med Chem Lett 25: 4405-11 (2015) BindingDB Entry DOI: 10.7270/Q2Z60QV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Anopheles gambiae) | BDBM50124879 (CHEMBL3623551) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech Curated by ChEMBL | Assay Description Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay | Bioorg Med Chem Lett 25: 4405-11 (2015) BindingDB Entry DOI: 10.7270/Q2Z60QV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50124879 (CHEMBL3623551) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE after 60 mins by Ellman assay | Bioorg Med Chem Lett 25: 4405-11 (2015) BindingDB Entry DOI: 10.7270/Q2Z60QV8 | |||||||||||
More data for this Ligand-Target Pair |