Table 4.
Binding affinity (K d) and IC50 values for compounds against CaCYP51.
Cmpd |
|
|
|
CaCYP51 |
K d |
---|---|---|---|---|---|
|
R1 |
R2 |
X |
IC50 [μM]a |
[nM] |
5 b |
4‐F |
H |
CH |
1.41 |
87±27 |
5 c |
4‐Cl |
H |
CH |
1.01 |
60±4 |
5 d |
4‐Cl |
Cl |
CH |
0.39 |
17±5 |
5 e |
2,4‐diCl |
H |
CH |
0.99 |
83±26 |
5 f |
2,4‐diCl |
Cl |
CH |
0.46 |
62±17 |
5 g |
4‐CH3 |
H |
CH |
2.45 |
144±47 |
5 h |
4‐CF3 |
H |
CH |
2.21 |
85±19 |
5 i |
4‐OCH3 |
H |
CH |
0.91 |
55±10 |
5 j |
3,4‐diOCH3 |
H |
CH |
6.15 |
– |
5 k |
4‐Cl |
H |
N |
4.32 |
167±17 |
7 |
– |
– |
– |
1.96 |
– |
12 a |
H |
– |
– |
0.54 |
115±16 |
12 b |
4‐F |
– |
– |
0.20 |
55±27 |
12 c |
4‐Cl |
– |
– |
0.33 |
43±18 |
12 d |
4‐OCH3 |
– |
– |
0.79 |
110±22 |
Fluc |
|
|
|
0.31 |
41±13 |
[a] Curve‐fitted IC50 values (v i=z o+{v o/1+([I]/IC50)n Mean K d values of three replicates are shown along with associated standard deviations.