Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50040536'   

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))	BDBM50040536 (CHEMBL3361199) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(F)c3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(57.75,-56.4,;56.42,-57.17,;56.42,-58.71,;55.09,-56.4,;53.75,-57.17,;52.41,-56.4,;52.41,-54.86,;51.09,-54.09,;51.09,-52.55,;49.75,-51.78,;48.41,-52.55,;47.08,-51.78,;45.75,-52.55,;45.75,-54.09,;44.41,-54.86,;43.08,-54.09,;41.75,-54.86,;41.75,-56.4,;43.08,-57.17,;43.08,-58.71,;44.41,-56.4,;47.08,-50.24,;48.41,-49.47,;49.75,-50.24,;48.41,-47.93,;47.08,-47.16,;47.08,-45.62,;48.41,-44.85,;49.75,-45.62,;49.75,-47.16,;53.75,-54.09,;55.09,-54.86,)| Show InChI InChI=1S/C25H28FN5O/c26-21-8-4-5-18(13-21)16-28-23-14-22(19-6-2-1-3-7-19)30-25(31-23)29-15-17-9-11-20(12-10-17)24(27)32/h1-8,13-14,17,20H,9-12,15-16H2,(H2,27,32)(H2,28,29,30,31)/t17-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	474	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
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