Table 2. Pyrrolopyridine Analogues: Structures, Considered Species,^a and MK2 Enzyme Inhibition IC₅₀ Values (M)²⁷.

			log(1/IC50)
ligand no.	R	considered species	exp	calcd
36	H	S1,S3,S5	6.767	6.561
37	Phb	S1,S3,S5	7.180	7.520
38	4-Pyc	S1,S2,S3,S5	7.252	7.339
39	3-Py	S1,S3,S5	7.319	7.486
40	3-Thd	S1,S3,S5	7.119	7.550
41	2-Npe	S1,S3,S5	7.284	6.934
42	2-Btf	S1,S3,S5	7.523	7.347
43	3-Qg	S1,S3,S5	8.071	7.994
44	2-OH-Ph	S1,S2,S3–S5	6.387	6.920
45	3-OH-Ph	S1,S2,S3–S5	7.602	7.829
46	4-OH-Ph	S1,S2,S3–S5	7.678	7.669
47	2-Cl-Ph	S1,S3,S5	6.218	6.430
48	3-Cl-Ph	S1,S3,S5	7.432	7.747
49	4-Cl-Ph	S1,S3,S5	7.495	7.568
50	2-F-Ph	S1,S3,S5	6.900	7.165
51	3-F-Ph	S1,S3,S5	7.523	7.659
52	4-F-Ph	S1,S3,S5	7.301	7.422
53	4-CF3-Ph	S1,S3,S5	7.149	7.181
54	4-COCH3-Ph	S1,S3,S5	7.292	7.228
55	4-OCH3-Ph	S1,S3,S5	7.260	7.205
56	4-NH2-Ph	S1,S3,S5	7.387	7.340
57	4-[CONH-c-C5H9]-Ph	S1,S3,S5	8.097	8.153
58	4-[CONH-c-C6H11]-Ph	S1,S3,S5	7.770	7.662
59	4-[CONHCH2Ph]-Ph	S1,S3,S5	8.097	7.786
60	4-[CONH(CH2)2Ph]-Ph	S1,S3,S5	7.337	7.508
61	4-[CONH(CH3)CH2Ph]-Ph	S1,S3,S5	7.252	7.309
62	Cl	S1,S3,S5	6.216	6.270
63	5-Pmh	S1,S3,S5	7.081	7.115
64	4-CN-Ph	S1,S3,S5	7.208	7.218
65	4-COOH-Ph	S2,S3,S5	7.658	7.683
66	4-[CONH-c-C3H5]-Ph	S1,S3,S5	7.824	7.816

^aAll compounds present as tautomers T1 and T2.

^bPhenyl.

^cPyridinyl.

^dThienyl.

^eNaphthyl (marked as 3-Np in the original publication).

^fBenzothienyl.

^gQuinolinyl.

^hPyrimidinyl.