Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50308413'   

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))	BDBM50308413 (CHEMBL588172 | N,N-Diisopropyl-1'H-phenothiazine-1...) Show SMILES CC(C)N(C(C)C)C(=O)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H22N2OS/c1-13(2)20(14(3)4)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-14H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
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