Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50526421'   

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))	BDBM50526421 (CHEMBL4446356) Show SMILES CCCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C28H31N5O/c1-3-16-29-27(34)21-13-9-15-25-23(21)17-19(2)33(25)28-31-24-14-8-7-12-22(24)26(32-28)30-18-20-10-5-4-6-11-20/h4-6,9-11,13,15,17H,3,7-8,12,14,16,18H2,1-2H3,(H,29,34)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	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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