BDBM50500756 CHEMBL3752908
SMILES: I.ICC1CN=C(Nc2ccccn2)S1
InChI Key: InChIKey=BBEHLCAYPLLIOZ-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterase (Equus caballus (Horse)) | BDBM50500756 (CHEMBL3752908) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL | Assay Description Noncompetitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated... | Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylesterase (Sus scrofa) | BDBM50500756 (CHEMBL3752908) | PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate by spectrophotometric analysis | Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50500756 (CHEMBL3752908) | 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 | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's ... | Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50500756 (CHEMBL3752908) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's meth... | Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q | |||||||||||
More data for this Ligand-Target Pair |