Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50526414'   

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))	BDBM50526414 (CHEMBL4459139) Show SMILES CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C28H27N5O/c1-3-10-26(34)30-24-15-9-16-25-22(24)17-19(2)33(25)28-31-23-14-8-7-13-21(23)27(32-28)29-18-20-11-5-4-6-12-20/h4-6,9,11-12,15-17H,7-8,13-14,18H2,1-2H3,(H,30,34)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	33	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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