Basic Information
ID: ALA3887078
Type: Binding
Description: Inhibition Assay: The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-Gln-Asn-(betanaphthyl)Ala-Pro-Ile-Val (SEQ ID NO:1)]. Compounds were tested using Procedure A. In Procedure A, the test compound was first preincubated with the enzyme in assay buffer (50 mM sodium acetate, pH 5.5, 100 mM NaCl, and 0.1% BSA) for 30 minutes at room temperature. Substrate was then added to 400 micromolar in a total volume of 80 microliters containing 10 picomolar HIV-1 protease and the reaction was incubated for 1 hour at 30° C. The reaction was quenched with the addition of 120 microliters of 10% phosphoric acid. The product formation was determined after separation of product and substrate on a Zorbax Eclipse XDB-C18 column (Agilent Technologies, Santa Clara, Calif.) connected to an Agilent 1100 high performance liquid chromatography system with fluorescence detection (excitation 270 nanometer and emission 330 nanometer).
Activity Charts
Bioactivity
Activity Types for Assay ALA3887078
IC50
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 770.97 | 7.12 | 7.12 |
| 692.89 | 5.66 | 5.66 |
| 678.88 | 5.44 | 5.44 |
| 663.86 | 5.69 | 5.69 |
| 806.05 | 7.48 | 7.48 |
| 706.91 | 5.91 | 5.91 |
| 804.03 | 7.53 | 7.53 |
| 804.03 | 7.53 | 7.53 |
| 677.89 | 6.25 | 6.25 |
| 742.95 | 5.71 | 5.71 |
| 663.86 | 5.69 | 5.69 |
| 771.94 | 5.86 | 5.86 |
| 721.94 | 6.13 | 6.13 |
| 664.85 | 5.09 | 5.09 |
| 776.90 | 6.59 | 6.59 |
| 690.80 | 3.81 | 3.81 |
| 804.03 | 7.53 | 7.53 |
| 752.98 | 6.99 | 6.99 |
| 730.89 | 5.18 | 5.18 |
| 730.89 | 5.18 | 5.18 |
| 691.92 | 6.43 | 6.43 |
| 793.01 | 6.86 | 6.86 |
| 707.92 | 5.74 | 5.74 |
| 804.03 | 7.53 | 7.53 |
| 742.95 | 5.71 | 5.71 |
| 819.05 | 7.38 | 7.38 |
| 838.03 | 4.31 | 4.31 |
| 780.95 | 6.33 | 6.33 |
| 664.85 | 5.20 | 5.20 |
| 779.97 | 6.94 | 6.94 |
| 693.89 | 5.18 | 5.18 |
| 771.94 | 5.86 | 5.86 |
| 753.89 | 5.67 | 5.67 |
| 664.85 | 5.09 | 5.09 |
| 771.94 | 5.86 | 5.86 |
| 742.84 | 6.64 | 6.64 |
| 786.90 | 6.46 | 6.46 |
| 786.90 | 7.33 | 7.33 |
| 718.82 | 5.74 | 5.74 |
| 843.91 | 7.70 | 7.70 |
| 753.89 | 5.67 | 5.67 |
| 741.88 | 5.74 | 5.74 |
| 743.83 | 6.03 | 6.03 |
| 796.93 | 7.73 | 7.73 |
| 739.86 | 5.89 | 5.89 |
| 762.87 | 5.87 | 5.87 |
| 704.92 | 5.83 | 5.83 |
| 812.93 | 7.84 | 7.84 |
| 676.74 | 4.62 | 4.62 |
| 780.95 | 6.33 | 6.33 |
| 758.85 | 5.62 | 5.62 |
| 753.89 | 5.76 | 5.76 |
| 818.94 | 7.36 | 7.36 |
| 760.90 | 6.77 | 6.77 |
| 742.84 | 6.64 | 6.64 |
| 730.89 | 5.18 | 5.18 |
| 784.92 | 7.67 | 7.67 |
| 786.90 | 6.23 | 6.23 |
| 764.87 | 5.53 | 5.53 |
| 650.82 | 4.64 | 4.64 |
| 785.91 | 7.06 | 7.06 |
| 733.83 | 5.65 | 5.65 |
| 712.84 | 5.27 | 5.27 |
| 803.95 | 7.19 | 7.19 |
| 813.93 | 6.16 | 6.16 |
| 769.93 | 6.00 | 6.00 |
| 771.94 | 5.86 | 5.86 |
| 738.89 | 5.30 | 5.30 |
| 753.27 | 6.39 | 6.39 |
| 772.79 | 6.28 | 6.28 |
| 721.94 | 5.61 | 5.61 |
| 743.83 | 6.03 | 6.03 |
| 724.85 | 5.80 | 5.80 |
| 787.89 | 5.62 | 5.62 |
| 780.84 | 6.38 | 6.38 |
| 736.86 | 6.17 | 6.17 |
| 786.90 | 6.23 | 6.23 |
| 788.94 | 6.68 | 6.68 |
| 780.89 | 6.57 | 6.57 |
| 704.83 | 4.12 | 4.12 |
| 821.34 | 6.88 | 6.88 |
| 825.98 | 7.59 | 7.59 |
| 786.90 | 6.23 | 6.23 |
| 778.89 | 6.91 | 6.91 |
| 795.35 | 7.42 | 7.42 |
| 784.92 | 7.67 | 7.67 |
| 744.28 | 6.87 | 6.87 |
| 779.97 | 6.94 | 6.94 |
| 706.91 | 5.91 | 5.91 |
| 746.87 | 6.38 | 6.38 |
| 704.79 | 5.35 | 5.35 |
| 812.94 | 6.77 | 6.77 |
| 736.81 | 5.88 | 5.88 |
| 813.93 | 6.16 | 6.16 |
| 785.91 | 6.83 | 6.83 |
| 732.85 | 5.99 | 5.99 |
| 730.83 | 5.41 | 5.41 |
| 724.85 | 5.80 | 5.80 |
| 785.91 | 7.06 | 7.06 |
| 821.38 | 7.25 | 7.25 |
| 775.91 | 6.68 | 6.68 |
| 801.98 | 8.40 | 8.40 |
| 785.91 | 6.83 | 6.83 |
| 802.92 | 6.32 | 6.32 |
| 736.81 | 5.88 | 5.88 |
| 746.83 | 5.26 | 5.26 |
| 814.85 | 7.31 | 7.31 |
| 784.92 | 7.67 | 7.67 |
| 744.86 | 6.13 | 6.13 |
| 778.89 | 6.91 | 6.91 |
| 784.92 | 7.67 | 7.67 |
| 812.93 | 7.84 | 7.84 |
| 706.91 | 5.91 | 5.91 |
| 811.89 | 6.96 | 6.96 |
| 761.89 | 6.16 | 6.16 |
| 732.85 | 5.99 | 5.99 |
| 732.85 | 6.13 | 6.13 |
| 795.35 | 7.42 | 7.42 |
| 690.80 | 3.81 | 3.81 |
| 802.96 | 7.79 | 7.79 |
| 753.89 | 5.67 | 5.67 |
| 663.86 | 5.69 | 5.69 |
| 760.88 | 6.77 | 6.77 |
| 828.88 | 7.70 | 7.70 |
| 802.96 | 7.79 | 7.79 |
| 664.85 | 4.88 | 4.88 |
| 785.91 | 7.06 | 7.06 |
| 812.94 | 6.77 | 6.77 |
| 795.85 | 6.29 | 6.29 |
| 825.98 | 7.59 | 7.59 |