Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50526417'   

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))	BDBM50526417 (CHEMBL4543206) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCC#N Show InChI InChI=1S/C27H26N6O/c1-18-16-22-20(26(34)29-15-14-28)11-7-13-24(22)33(18)27-31-23-12-6-5-10-21(23)25(32-27)30-17-19-8-3-2-4-9-19/h2-4,7-9,11,13,16H,5-6,10,12,15,17H2,1H3,(H,29,34)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	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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