BDBM50510836 CHEMBL4534662
SMILES: COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCc1ccccc1
InChI Key: InChIKey=VLBMEFQKZXFPCO-FBMGVBCBSA-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 |
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Acetylcholinesterase (Homo sapiens (Human)) | BDBM50510836![]() (CHEMBL4534662) | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of human acetylcholinesterase using acetylthiocholine as substrate pretreated followed by substrate addition and measured after 15 mins by... | Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50510836![]() (CHEMBL4534662) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated followed by substrate addition and measured after 2 mins by ... | Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50510836![]() (CHEMBL4534662) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated followed by substrate addition and measured after 2 mins by El... | Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50510836![]() (CHEMBL4534662) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of human butyrylcholinesterase using butyrylthiocholine iodide as substrate pretreated followed by substrate addition and measured after 1... | Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 | |||||||||||
More data for this Ligand-Target Pair |