BDBM1175 N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(pentan-3-yl)-2H-pyran-3-yl]methyl}phenyl)-1-methyl-1H-imidazole-4-sulfonamide::N-[3-[Cyclopropyl[6-(1-ethylpropyl)-4-hydroxy-2-oxo-2H-pyran-3-yl)methyl]phenyl]-1-methyl-1H-imidazole-4-sulfonamide::Sulfonamide-Containing 4-Hydroxy-2-pyrone deriv. XV

SMILES: CCC(CC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1

InChI Key: InChIKey=RITIXPBLKVIIFG-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 = 1175   

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)	BDBM1175 (N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(pentan-3-yl)-...) Show SMILES CCC(CC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1 Show InChI InChI=1S/C24H29N3O5S/c1-4-15(5-2)20-12-19(28)23(24(29)32-20)22(16-9-10-16)17-7-6-8-18(11-17)26-33(30,31)21-13-27(3)14-25-21/h6-8,11-16,22,26,28H,4-5,9-10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.540	-12.5	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 39: 2400-10 (1996) Article DOI: 10.1021/jm950888f BindingDB Entry DOI: 10.7270/Q20K26RK
					More data for this Ligand-Target Pair