BDBM2501 (+/-)-4-Hydroxy-3-[ 1-[ (phenylmethyl)thio]-3-methylbutyl]-6-phenyl-2H-pyran-2-one::3-[1-(benzylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one::C-3-substituted Pyran-2-one 10

SMILES: CC(C)CC(SCc1ccccc1)c1c(O)cc(oc1=O)-c1ccccc1

InChI Key: InChIKey=PIVCSFQAABPVOR-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 = 2501   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2501 ((+/-)-4-Hydroxy-3-[ 1-[ (phenylmethyl)thio]-3-meth...) Show SMILES CC(C)CC(SCc1ccccc1)c1c(O)cc(oc1=O)-c1ccccc1 Show InChI InChI=1S/C23H24O3S/c1-16(2)13-21(27-15-17-9-5-3-6-10-17)22-19(24)14-20(26-23(22)25)18-11-7-4-8-12-18/h3-12,14,16,21,24H,13,15H2,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	4.7	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 38: 898-905 (1995) Article DOI: 10.1021/jm00006a007 BindingDB Entry DOI: 10.7270/Q2348HJB
					More data for this Ligand-Target Pair