Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATPase family AAA domain-containing protein 2B' and Ligand = 'BDBM50249810'   

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
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50249810 (CHEMBL4102050) Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human ATAD2B expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay				J Med Chem 60: 668-680 (2017) Article DOI: 10.1021/acs.jmedchem.6b01583 BindingDB Entry DOI: 10.7270/Q29K4DQ5
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