BindingDB PrimarySearch

BDBM558 N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide::PNU-140690::Sulfonamide-Containing 5,6-Dihydro-4-hydroxy-2-pyrones::Tipranavir::U-140690

SMILES: CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1

InChI Key: InChIKey=MYXACKZCYFKMTE-JETRDCLMSA-N

Data: 1 KI 1 IC50

PDB links: 9 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 558
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM558 (N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.00800	-15.0	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 39: 4349-53 (1996) Article DOI: 10.1021/jm960541s BindingDB Entry DOI: 10.7270/Q2HQ3X35
Upjohn					More data for this Ligand-Target Pair				3D Structure (crystal)
CAAX prenyl protease 1 homolog (Mus musculus)	BDBM558 (N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse ZMPSTE24 expressed n delta ste24 delta rce1 yeast				Proc Natl Acad Sci USA 104: 13432-7 (2007) Article DOI: 10.1073/pnas.0704212104 BindingDB Entry DOI: 10.7270/Q2X067X8
University of California Curated by ChEMBL					More data for this Ligand-Target Pair