BDBM446 5-tert-butyl-4-({4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2-oxo-6-propyl-5,6-dihydro-2H-pyran-3-yl}sulfanyl)-2-methylphenyl 1-methyl-1H-imidazole-2-sulfonate::Dihydropyran-2-one deriv. 51

SMILES: CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3nccn3C)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=UWSPSACTIXQLMR-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 446   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM446 (5-tert-butyl-4-({4-hydroxy-6-[2-(4-hydroxyphenyl)e...) Show SMILES CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3nccn3C)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C31H38N2O7S2/c1-7-13-31(14-12-21-8-10-22(34)11-9-21)19-24(35)27(28(36)39-31)41-26-17-20(2)25(18-23(26)30(3,4)5)40-42(37,38)29-32-15-16-33(29)6/h8-11,15-18,27,34H,7,12-14,19H2,1-6H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 43: 843-58 (2000) Article DOI: 10.1021/jm990281p BindingDB Entry DOI: 10.7270/Q21N7Z9R
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