Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50526411'   

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))	BDBM50526411 (CHEMBL4438398) Show SMILES Cc1cc2c(NC(=O)C#C)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C26H23N5O2/c1-3-24(32)28-21-10-7-11-23-19(21)14-17(2)31(23)26-29-22-12-13-33-16-20(22)25(30-26)27-15-18-8-5-4-6-9-18/h1,4-11,14H,12-13,15-16H2,2H3,(H,28,32)(H,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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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