BDBM50288611 Alpha-ketocarbonyl boronic ester derivative::CHEMBL98688

SMILES: CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1)B1OC(C)(C)C(C)(C)O1

InChI Key: InChIKey=YAMYHHLOVKJYKZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288611   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chymotrypsin-like protease CTRL-1 (Homo sapiens (Human))	BDBM50288611 (Alpha-ketocarbonyl boronic ester derivative | CHEM...) Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1)B1OC(C)(C)C(C)(C)O1 |w:12.11| Show InChI InChI=1S/C33H60BN7O6/c1-24(2)23-28(34-46-32(3,4)33(5,6)47-34)39-30(43)27(20-16-22-37-31(36)40-41(44)45)38-29(42)26(25-17-13-14-18-25)19-12-10-8-7-9-11-15-21-35/h24-28H,7-20,22-23H2,1-6H3,(H,38,42)(H,39,43)(H3,36,37,40)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain				Bioorg Med Chem Lett 6: 287-290 (1996) Article DOI: 10.1016/0960-894X(96)00014-5 BindingDB Entry DOI: 10.7270/Q2JQ1112
					More data for this Ligand-Target Pair