Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50526422'   

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))	BDBM50526422 (CHEMBL4535642) Show SMILES CC#CCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCOCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C28H27N5O2/c1-3-4-14-29-27(34)21-11-8-12-25-22(21)16-19(2)33(25)28-31-24-13-15-35-18-23(24)26(32-28)30-17-20-9-6-5-7-10-20/h5-12,16H,13-15,17-18H2,1-2H3,(H,29,34)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	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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