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BDBM3413 2-Butanol deriv. 21::N,5-di-tert-butyl-2-{4-[4-tert-butyl-2-(tert-butylcarbamoyl)phenyl]-2-hydroxybutyl}benzamide

SMILES: CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc(cc1C(=O)NC(C)(C)C)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=WXARQAZSUBBQIW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 3413   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM3413
PNG
(2-Butanol deriv. 21 | N,5-di-tert-butyl-2-{4-[4-te...)
Show SMILES CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc(cc1C(=O)NC(C)(C)C)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C34H52N2O3/c1-31(2,3)24-16-13-22(27(20-24)29(38)35-33(7,8)9)15-18-26(37)19-23-14-17-25(32(4,5)6)21-28(23)30(39)36-34(10,11)12/h13-14,16-17,20-21,26,37H,15,18-19H2,1-12H3,(H,35,38)(H,36,39)
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PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.00E+3n/an/an/an/a5.637



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