BDBM1009 N-(3-{1-[4-hydroxy-6,6-bis({[2-(2-methoxyethoxy)ethoxy]methyl})-2-oxo-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-1-methyl-1H-imidazole-4-sulfonamide::N-[3-{1-(5,6-Dihydro-4-hydroxy-2-oxo--6,6-bis((2-(2-methoxyethoxy)ethoxy)methyl)-2H-pyran-3-yl)propyl}phenyl]-1-methyl-1H-imidazole-4-sulfonamide::Tipranavir deriv. 21

SMILES: CCC(C1C(=O)CC(COCCOCCOC)(COCCOCCOC)OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1

InChI Key: InChIKey=PXTCOGLXLHGQAQ-UHFFFAOYSA-N

Data: 1 KI

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 = 1009   

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)	BDBM1009 (N-(3-{1-[4-hydroxy-6,6-bis({[2-(2-methoxyethoxy)et...) Show SMILES CCC(C1C(=O)CC(COCCOCCOC)(COCCOCCOC)OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C30H45N3O11S/c1-5-25(23-7-6-8-24(17-23)32-45(36,37)27-19-33(2)22-31-27)28-26(34)18-30(44-29(28)35,20-42-15-13-40-11-9-38-3)21-43-16-14-41-12-10-39-4/h6-8,17,19,22,25,28,32H,5,9-16,18,20-21H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	-10.2	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 41: 3467-76 (1998) Article DOI: 10.1021/jm9802158 BindingDB Entry DOI: 10.7270/Q2S180P3
					More data for this Ligand-Target Pair