BDBM3399 2-Butanol deriv. 6::2-[2-[2-[[(tert-Butylcarbamoyl)phenyl]sulfanyl]-1-hydroxyethyl]benzoic Acid tert-Butyl Amide::N-tert-butyl-2-({2-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxyethyl}sulfanyl)benzamide

SMILES: CC(C)(C)NC(=O)c1ccccc1SCC(O)c1ccccc1C(=O)NC(C)(C)C

InChI Key: InChIKey=RYKWVFVWMBLACA-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 = 3399   

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)	BDBM3399 (2-Butanol deriv. 6 | 2-[2-[2-[[(tert-Butylcarbamoy...) Show SMILES CC(C)(C)NC(=O)c1ccccc1SCC(O)c1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C24H32N2O3S/c1-23(2,3)25-21(28)17-12-8-7-11-16(17)19(27)15-30-20-14-10-9-13-18(20)22(29)26-24(4,5)6/h7-14,19,27H,15H2,1-6H3,(H,25,28)(H,26,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	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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