Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stress-70 protein, mitochondrial' and Ligand = 'BDBM50539103'   

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
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539103 (CHEMBL4636754) Show SMILES CC1(C)CCNc2ccc(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C18H20N4O3/c1-18(2)9-10-19-16-8-5-13(11-15(16)18)21-17(23)20-12-3-6-14(7-4-12)22(24)25/h3-8,11,19H,9-10H2,1-2H3,(H2,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
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