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.