BDBM9162 N-alkoxysulfonamide analog 2::N-alkoxysulfonamide analog entry b::tert-butyl N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(pentan-3-yloxy)sulfonamido]-1-phenylbutan-2-yl]carbamate

SMILES: CCC(CC)ON(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=KBIPGDRYFVMXGQ-LOSJGSFVSA-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 = 9162   

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)	BDBM9162 (N-alkoxysulfonamide analog 2 | N-alkoxysulfonamide...) Show SMILES CCC(CC)ON(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H40N2O7S/c1-7-21(8-2)36-29(37(32,33)23-16-14-22(34-6)15-17-23)19-25(30)24(18-20-12-10-9-11-13-20)28-26(31)35-27(3,4)5/h9-17,21,24-25,30H,7-8,18-19H2,1-6H3,(H,28,31)/t24-,25+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	-11.6	n/a	n/a	n/a	n/a	n/a	6.8	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 15: 3560-4 (2005) Article DOI: 10.1016/j.bmcl.2005.05.101 BindingDB Entry DOI: 10.7270/Q2F769SC
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