BDBM50523387 CHEMBL4556281
SMILES: Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
InChI Key: InChIKey=JDPFLTTTZILSHX-WLOLSGMKSA-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 |
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Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50523387 (CHEMBL4556281) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured... | Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50523387 (CHEMBL4556281) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ... | Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50523387 (CHEMBL4556281) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 4.82E+3 | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Displacement of propidium iodide from peripheral binding site of electric eel AChE assessed as dissociation constant at 8 to 56 uM by spectrofluorome... | Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, endothelial (Rattus norvegicus) | BDBM50523387 (CHEMBL4556281) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins | Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 | |||||||||||
More data for this Ligand-Target Pair |