Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50526419'   

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
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526419 (CHEMBL4460205) Show SMILES CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCOCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C27H25N5O2/c1-3-8-25(33)29-22-11-7-12-24-20(22)15-18(2)32(24)27-30-23-13-14-34-17-21(23)26(31-27)28-16-19-9-5-4-6-10-19/h4-7,9-12,15H,13-14,16-17H2,1-2H3,(H,29,33)(H,28,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
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