BDBM3404 2-Butanol deriv. 11::N-tert-butyl-1-{4-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxybutyl}piperidine-2-carboxamide

SMILES: CC(C)(C)NC(=O)C1CCCCN1CC(O)CCc1ccccc1C(=O)NC(C)(C)C

InChI Key: InChIKey=NLIMJYNLARWQCI-UHFFFAOYSA-N

Data: 1 Other

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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 = 3404   

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)	BDBM3404 (2-Butanol deriv. 11 | N-tert-butyl-1-{4-[2-(tert-b...) Show SMILES CC(C)(C)NC(=O)C1CCCCN1CC(O)CCc1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C25H41N3O3/c1-24(2,3)26-22(30)20-12-8-7-11-18(20)14-15-19(29)17-28-16-10-9-13-21(28)23(31)27-25(4,5)6/h7-8,11-12,19,21,29H,9-10,13-17H2,1-6H3,(H,26,30)(H,27,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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
					More data for this Ligand-Target Pair