Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-9' and Ligand = 'BDBM50538168'   

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
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538168 (CHEMBL4636386) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H43N5O7/c1-21(2)17-26(30(42)34(4)20-46-34)37-32(44)27(38-33(45)28-11-8-16-39(28)29(41)19-35-22(3)40)18-23-12-14-25(15-13-23)36-31(43)24-9-6-5-7-10-24/h5-7,9-10,12-15,21,26-28H,8,11,16-20H2,1-4H3,(H,35,40)(H,36,43)(H,37,44)(H,38,45)/t26-,27-,28-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
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