BDBM2529 3-{[2-tert-butyl-4-(methoxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-[4-(2-hydroxyethoxy)phenyl]-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one::6-Phenyl-6-phenethyldihydropyrone 13r

SMILES: COCc1cc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)cc1C)C(C)(C)C

InChI Key: InChIKey=ARGIMILDWADKFM-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 = 2529   

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)	BDBM2529 (3-{[2-tert-butyl-4-(methoxymethyl)-5-methylphenyl]...) Show SMILES COCc1cc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)cc1C)C(C)(C)C Show InChI InChI=1S/C34H40O6S/c1-23-19-30(28(33(2,3)4)20-25(23)22-38-5)41-31-29(36)21-34(40-32(31)37,16-15-24-9-7-6-8-10-24)26-11-13-27(14-12-26)39-18-17-35/h6-14,19-20,31,35H,15-18,21-22H2,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				J Med Chem 40: 3707-11 (1997) Article DOI: 10.1021/jm970522y BindingDB Entry DOI: 10.7270/Q2ZC812F
					More data for this Ligand-Target Pair