BDBM3398 2-Butanol deriv. 5::2-[3-[[2-(tert-Butylcarbamoyl)phenyl]sulfanyl]-2-hydroxypropyl]naphthalene-1-carboxylic Acid tert-Butyl Amide::N-tert-butyl-2-(3-{[2-(tert-butylcarbamoyl)phenyl]sulfanyl}-2-hydroxypropyl)naphthalene-1-carboxamide

SMILES: CC(C)(C)NC(=O)c1ccccc1SCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C

InChI Key: InChIKey=DPXOXISAOYTUJS-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 3398   

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)	BDBM3398 (2-Butanol deriv. 5 | 2-[3-[[2-(tert-Butylcarbamoyl...) Show SMILES CC(C)(C)NC(=O)c1ccccc1SCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C Show InChI InChI=1S/C29H36N2O3S/c1-28(2,3)30-26(33)23-13-9-10-14-24(23)35-18-21(32)17-20-16-15-19-11-7-8-12-22(19)25(20)27(34)31-29(4,5)6/h7-16,21,32H,17-18H2,1-6H3,(H,30,33)(H,31,34)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				J Med Chem 39: 2781-94 (1996) Article DOI: 10.1021/jm960093o BindingDB Entry DOI: 10.7270/Q2K072F6
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