BDBM1179 N-[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-[(tetrahydro-2H-pyran-4-yl)methyl]phenyl]-2H-pyran-3-yl]methyl]phenyl]-1-methyl-1H-imidazole-4-sulfonamide::N-{3-[cyclopropyl({4-hydroxy-6-[1-(oxan-4-yl)butan-2-yl]-2-oxo-2H-pyran-3-yl})methyl]phenyl}-1-methyl-1H-imidazole-4-sulfonamide::Sulfonamide-Containing 4-Hydroxy-2-pyrone deriv. XIX

SMILES: CCC(CC1CCOCC1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1

InChI Key: InChIKey=QPDCJMXOIJUAPY-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 = 1179   

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)	BDBM1179 (N-[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-[(tetrahydr...) Show SMILES CCC(CC1CCOCC1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1 Show InChI InChI=1S/C28H35N3O6S/c1-3-19(13-18-9-11-36-12-10-18)24-15-23(32)27(28(33)37-24)26(20-7-8-20)21-5-4-6-22(14-21)30-38(34,35)25-16-31(2)17-29-25/h4-6,14-20,26,30,32H,3,7-13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.480	-12.6	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