BDBM2171 (3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one::3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one::PD 178390 Analog 10

SMILES: Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)OC2=O)c1)C(C)(C)C

InChI Key: InChIKey=OECDNPOMGNJUPW-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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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 = 2171   

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)	BDBM2171 ((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydrox...) Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)OC2=O)c1)C(C)(C)C Show InChI InChI=1S/C24H28O4S/c1-15-5-12-19(24(2,3)4)21(13-15)29-22-20(26)14-18(28-23(22)27)11-8-16-6-9-17(25)10-7-16/h5-7,9-10,12-13,18,22,25H,8,11,14H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	338	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)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair