BDBM2187 (3-(2-tert-Butyl-4-(2-methoxymethoxy-ethoxy)-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-methyl-5,6-dihydro-pyran-2-one::3-({2-tert-butyl-4-[2-(methoxymethoxy)ethoxy]-5-methylphenyl}sulfanyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-methyl-5,6-dihydro-2H-pyran-2-one::PD 178390 Analog 26

SMILES: COCOCCOc1cc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)cc1C)C(C)(C)C

InChI Key: InChIKey=JCMSSYKGHZHPNL-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 = 2187   

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)	BDBM2187 ((3-(2-tert-Butyl-4-(2-methoxymethoxy-ethoxy)-5-met...) Show SMILES COCOCCOc1cc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)cc1C)C(C)(C)C Show InChI InChI=1S/C29H38O7S/c1-19-15-25(22(28(2,3)4)16-24(19)35-14-13-34-18-33-6)37-26-23(31)17-29(5,36-27(26)32)12-11-20-7-9-21(30)10-8-20/h7-10,15-16,26,30H,11-14,17-18H2,1-6H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
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)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
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