Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50236971'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholinesterase (Homo sapiens (Human))	BDBM50236971 (CHEMBL4074566) Show SMILES NC1=C(C#N)C2(c3ccccc3-c3nc4ccccc4nc23)C(=C(NCc2ccccc2)N1Cc1ccccc1)[N+]([O-])=O |c:1,t:26| Show InChI InChI=1S/C34H25N7O2/c35-19-26-32(36)40(21-23-13-5-2-6-14-23)33(37-20-22-11-3-1-4-12-22)31(41(42)43)34(26)25-16-8-7-15-24(25)29-30(34)39-28-18-10-9-17-27(28)38-29/h1-18,37H,20-21,36H2	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	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by ...				Bioorg Med Chem 25: 2057-2064 (2017) Article DOI: 10.1016/j.bmc.2017.02.017 BindingDB Entry DOI: 10.7270/Q2WM1GP1
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