PMC full text:
Published online 2013 Apr 29. doi: 10.1073/pnas.1305378110
Table 1.
Determination of binding kinetics
| ID | Kd, µM | kon, s−1⋅µM−1 | koff, s−1 | Residence time, min | PDB ID | Contact atoms | Quotient* |
| Compounds with a short residence time for CDK8/CycC | |||||||
| 6 | — | n.a. | n.a. | b.d. < 1.4 | — | — | — |
| 7 | 3.24 | a.d. | a.d. | b.d. < 1.4 | 4F6S | 29 | <1.4 |
| 8 | 1.57 | a.d. | a.d. | b.d. < 1.4 | — | — | — |
| 3 | 5.82 | a.d. | a.d. | b.d. < 1.4 | 4F7J | 30 | <1.4 |
| 4 | 1.82 | a.d. | a.d. | b.d. < 1.4 | 4F70 | 32 | <1.4 |
| 9 | 3.53 | a.d. | a.d. | b.d. < 1.4 | — | — | — |
| Compounds with a detectable or long residence time for CDK8/CycC | |||||||
| 10 | 1.30 | 1.85 × 10−3 | 2.41 × 10−3 | 7 | — | — | |
| 5 | 0.70 | 1.68 × 10−3 | 1.18 × 10−3 | 14 | 4F6U | 47 | 0.3 |
| 11 | 0.08 | 3.65 × 10−3 | 2.90 × 10−4 | 57 | 4F7N | 37 | 1.5 |
| 2 | 0.01 | 5.73 × 10−4 | 8.57 × 10−6 | 1,944 | 4F7L | 43 | 45.2 |
| 1 | 0.03 | 2.99 × 10−4 | 1.02 × 10−5 | 1,626 | 4F6W | 58 | 28 |
a.d., above detection limit; b.d. below detection limit; ID, compound-identity; n.a., not applicable.
*Quotient was calculated by dividing the residence by the contact atoms.