BDBM50500755 CHEMBL3752466
SMILES: I.CC(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1
InChI Key: InChIKey=XUBSZFKBGGTKJG-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 |
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Cholinesterase (Equus caballus (Horse)) | BDBM50500755 (CHEMBL3752466) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.34E+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 Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated fo... | 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) | BDBM50500755 (CHEMBL3752466) | PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.09E+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 porcine liver carboxylesterase using 4-nitrophenol acetate as substrate assessed as steady state inhibition constant pre... | 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)) | BDBM50500755 (CHEMBL3752466) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 7.56E+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 | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50500755 (CHEMBL3752466) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.14E+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 | |||||||||||||
Carboxylesterase (Sus scrofa) | BDBM50500755 (CHEMBL3752466) | PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.13E+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 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 |