BDBM1007 N-[3-(1-{6-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-6-propyl-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-(2-(4-fluorophenyl)ethyl)-6-propyl-2H-pyran-3-yl)propyl}phenyl]-1-methyl-1H-imidazole-4-sulfonamide::Tipranavir deriv. 19

SMILES: CCCC1(CCc2ccc(F)cc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1

InChI Key: InChIKey=UZWSBPMKISOWKB-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 = 1007   

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)	BDBM1007 (N-[3-(1-{6-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-o...) Show SMILES CCCC1(CCc2ccc(F)cc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 Show InChI InChI=1S/C29H34FN3O5S/c1-4-14-29(15-13-20-9-11-22(30)12-10-20)17-25(34)27(28(35)38-29)24(5-2)21-7-6-8-23(16-21)32-39(36,37)26-18-33(3)19-31-26/h6-12,16,18-19,24,27,32H,4-5,13-15,17H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-11.5	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