Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50526416'   

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))	BDBM50526416 (CHEMBL4535337) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCCC#N Show InChI InChI=1S/C28H28N6O/c1-19-17-23-21(27(35)30-16-8-15-29)12-7-14-25(23)34(19)28-32-24-13-6-5-11-22(24)26(33-28)31-18-20-9-3-2-4-10-20/h2-4,7,9-10,12,14,17H,5-6,8,11,13,16,18H2,1H3,(H,30,35)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	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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