BDBM50007801 CHEMBL3233832
SMILES: Cl.[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5C(=O)c6c(O)cccc6C(=O)c5c4)c3[C@]([H])(CC(C)=C1)C2
InChI Key: InChIKey=PCRYQUXVYSHFOZ-CLSOAGJSSA-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)) | BDBM50007801 (CHEMBL3233832) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate assessed as dissociation constant for enzyme-inhibitor complex by Li... | J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50007801 (CHEMBL3233832) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate assessed as dissociation constant for enzyme-substrate-inhibitor com... | J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50007801 (CHEMBL3233832) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 513 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method | J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50007801 (CHEMBL3233832) | 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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method | J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50007801 (CHEMBL3233832) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 using methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl as substrate preincubated for 1 hr ... | J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9 | |||||||||||
More data for this Ligand-Target Pair |