Basic Information
ID: ALA3887813
Type: Binding
Description: In Vitro Inhibition Assay: KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Stürzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 37° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
Activity Charts
Bioactivity
Activity Types for Assay ALA3887813
IC50
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 606.77 | 4.25 | 4.25 |
| 468.62 | 3.19 | 3.19 |
| 508.66 | 2.84 | 2.84 |
| 593.73 | 3.63 | 3.63 |
| 646.71 | 4.95 | 4.95 |
| 544.70 | 3.37 | 3.37 |
| 599.76 | 3.69 | 3.69 |
| 569.66 | 2.92 | 2.92 |
| 581.72 | 3.57 | 3.57 |
| 534.66 | 3.53 | 3.53 |
| 531.66 | 2.16 | 2.16 |
| 647.82 | 4.01 | 4.01 |
| 619.19 | 4.64 | 4.64 |
| 544.70 | 3.37 | 3.37 |
| 613.16 | 4.58 | 4.58 |
| 606.77 | 3.03 | 3.03 |
| 649.79 | 3.62 | 3.62 |
| 634.80 | 5.14 | 5.14 |
| 635.81 | 4.73 | 4.73 |
| 592.74 | 4.24 | 4.24 |
| 609.73 | 3.33 | 3.33 |
| 653.63 | 5.30 | 5.30 |
| 653.53 | 4.87 | 4.87 |
| 450.63 | 3.05 | 3.05 |
| 592.74 | 4.32 | 4.32 |
| 596.73 | 2.97 | 2.97 |
| 601.79 | 4.38 | 4.38 |
| 584.74 | 3.99 | 3.99 |
| 579.70 | 3.32 | 3.32 |
| 584.74 | 3.99 | 3.99 |
| 544.70 | 3.67 | 3.67 |
| 537.51 | 4.49 | 4.49 |
| 596.70 | 4.07 | 4.07 |
| 595.74 | 3.87 | 3.87 |
| 585.73 | 3.39 | 3.39 |
| 530.71 | 3.84 | 3.84 |
| 599.76 | 3.69 | 3.69 |
| 597.69 | 3.46 | 3.46 |
| 607.76 | 4.00 | 4.00 |
| 493.65 | 1.90 | 1.90 |
| 685.85 | 2.90 | 2.90 |
| 585.73 | 3.39 | 3.39 |
| 613.78 | 4.00 | 4.00 |
| 648.59 | 4.63 | 4.63 |
| 647.60 | 5.24 | 5.24 |
| 662.71 | 4.83 | 4.83 |
| 594.71 | 3.42 | 3.42 |
| 526.65 | 2.98 | 2.98 |
| 609.73 | 3.33 | 3.33 |
| 593.73 | 3.63 | 3.63 |
| 614.15 | 3.98 | 3.98 |
| 604.75 | 4.33 | 4.33 |
| 500.64 | 3.33 | 3.33 |
| 593.73 | 3.63 | 3.63 |
| 548.69 | 3.84 | 3.84 |
| 658.77 | 5.25 | 5.25 |
| 543.50 | 3.76 | 3.76 |
| 609.73 | 3.33 | 3.33 |
| 593.73 | 4.32 | 4.32 |
| 584.76 | 4.20 | 4.20 |
| 646.71 | 4.95 | 4.95 |
| 558.72 | 3.61 | 3.61 |
| 508.66 | 2.84 | 2.84 |
| 593.73 | 3.63 | 3.63 |
| 565.67 | 2.93 | 2.93 |
| 578.71 | 3.93 | 3.93 |
| 579.70 | 3.32 | 3.32 |
| 646.71 | 4.95 | 4.95 |
| 648.59 | 4.63 | 4.63 |
| 596.70 | 4.07 | 4.07 |
| 620.18 | 4.04 | 4.04 |
| 635.76 | 3.05 | 3.05 |
| 633.21 | 4.99 | 4.99 |
| 564.69 | 3.54 | 3.54 |
| 613.16 | 4.58 | 4.58 |
| 518.75 | 4.59 | 4.59 |
| 596.70 | 4.07 | 4.07 |
| 530.67 | 3.33 | 3.33 |
| 559.71 | 3.21 | 3.21 |
| 640.78 | 5.11 | 5.11 |
| 505.49 | 4.09 | 4.09 |
| 598.77 | 4.30 | 4.30 |
| 597.69 | 3.46 | 3.46 |
| 643.79 | 4.79 | 4.79 |
| 599.76 | 3.69 | 3.69 |
| 567.44 | 4.38 | 4.38 |
| 628.80 | 3.62 | 3.62 |
| 634.80 | 5.14 | 5.14 |
| 568.68 | 2.65 | 2.65 |
| 540.71 | 4.26 | 4.26 |
| 615.68 | 3.60 | 3.60 |
| 632.68 | 4.47 | 4.47 |
| 488.63 | 2.80 | 2.80 |
| 614.69 | 4.21 | 4.21 |
| 562.69 | 3.16 | 3.16 |
| 709.67 | 6.42 | 6.42 |
| 548.66 | 3.47 | 3.47 |
| 584.74 | 3.99 | 3.99 |
| 579.70 | 3.32 | 3.32 |
| 595.54 | 4.29 | 4.29 |
| 675.23 | 5.76 | 5.76 |
| 488.63 | 2.72 | 2.72 |
| 658.77 | 5.25 | 5.25 |
| 568.67 | 3.52 | 3.52 |
| 641.79 | 3.95 | 3.95 |
| 550.66 | 3.24 | 3.24 |
| 492.71 | 4.17 | 4.17 |
| 628.17 | 4.29 | 4.29 |
| 570.65 | 2.31 | 2.31 |
| 596.70 | 4.07 | 4.07 |
| 474.61 | 2.46 | 2.46 |
| 458.56 | 2.31 | 2.31 |
| 494.64 | 2.50 | 2.50 |
| 614.77 | 4.00 | 4.00 |
| 617.75 | 4.41 | 4.41 |
| 561.55 | 4.40 | 4.40 |
| 556.71 | 3.68 | 3.68 |
| 697.88 | 5.16 | 5.16 |
| 565.11 | 3.98 | 3.98 |
| 633.67 | 3.74 | 3.74 |
| 647.60 | 5.24 | 5.24 |
| 664.21 | 5.13 | 5.13 |
| 599.56 | 4.63 | 4.63 |
| 637.81 | 4.78 | 4.78 |
| 623.50 | 5.21 | 5.21 |
| 508.66 | 2.84 | 2.84 |
| 614.77 | 3.48 | 3.48 |
| 648.59 | 4.63 | 4.63 |
| 635.79 | 4.54 | 4.54 |
| 579.70 | 3.32 | 3.32 |
| 592.74 | 4.23 | 4.23 |
| 620.79 | 4.64 | 4.64 |
| 572.75 | 4.20 | 4.20 |
| 579.70 | 3.32 | 3.32 |
| 542.68 | 3.03 | 3.03 |
| 507.68 | 2.25 | 2.25 |
| 579.70 | 3.32 | 3.32 |
| 508.66 | 2.59 | 2.59 |
| 599.76 | 3.69 | 3.69 |
| 526.65 | 2.98 | 2.98 |
| 464.65 | 3.39 | 3.39 |
| 649.21 | 4.13 | 4.13 |
| 599.76 | 3.57 | 3.57 |
| 436.60 | 2.79 | 2.79 |
| 597.72 | 3.53 | 3.53 |
| 544.70 | 3.02 | 3.02 |
| 614.15 | 3.98 | 3.98 |
| 614.15 | 3.98 | 3.98 |
| 655.85 | 4.79 | 4.79 |
| 626.20 | 4.10 | 4.10 |
| 480.65 | 2.41 | 2.41 |
| 593.73 | 3.63 | 3.63 |
| 584.64 | 3.57 | 3.57 |
| 531.66 | 2.16 | 2.16 |
| 636.84 | 4.83 | 4.83 |
| 593.73 | 3.63 | 3.63 |
| 596.70 | 4.07 | 4.07 |
| 532.64 | 2.17 | 2.17 |
| 569.11 | 4.18 | 4.18 |
| 492.60 | 2.60 | 2.60 |
| 584.74 | 3.99 | 3.99 |
| 613.16 | 4.58 | 4.58 |
| 608.74 | 3.94 | 3.94 |
| 454.57 | 1.58 | 1.58 |
| 647.60 | 5.24 | 5.24 |
| 613.16 | 4.58 | 4.58 |
| 609.73 | 3.33 | 3.33 |
| 520.76 | 4.95 | 4.95 |
| 593.73 | 3.63 | 3.63 |
| 592.74 | 4.24 | 4.24 |
| 609.73 | 3.33 | 3.33 |
| 635.19 | 4.13 | 4.13 |
| 592.74 | 4.27 | 4.27 |
| 494.68 | 2.75 | 2.75 |
| 628.17 | 4.97 | 4.97 |
| 530.67 | 2.98 | 2.98 |
| 648.59 | 4.63 | 4.63 |
| 646.71 | 4.95 | 4.95 |
| 585.73 | 3.39 | 3.39 |
| 608.74 | 3.94 | 3.94 |
| 478.68 | 3.83 | 3.83 |