Table 1.
Active hits, with estimated IC50 values, from virtual screening of the pharmacophore derived from the putative binding site of cromolyn, 1, against MOE databases.
| Compound | Vendor ID | Structure | Estimated IC50/nM |
|---|---|---|---|
| 2 | ChemBridge 7971920 |  |
ND |
| 3 | ChemBridge 7230553 |  |
0.514 |
| 4 | ChemBridge 7356270 |  |
22.7 |
| 5 | ChemBridge 7926943 |  |
0.600 |
| 6 | Asinex ASN 06747799 |
 |
0.555 |
| 7 | Pharmex PHAR058776 |
 |
19.0 |
| 8 | Pharmex PHAR087402 |
 |
ND |
| 9 | InterBioScreen STOCK2S-82643 |
 |
7.70 |
| 10 | InterBioScreen STOCK5S-26863 |
 |
42.6 |
| 11 | InterBioScreen STOCK5S-43994 |
 |
6.89 |
| 12 | InterBioScreen STOCK5S-58409 |
 |
264 |
| 13 | InterBioScreen STOCK5S-59895 |
 |
126 |
| 14 | InterBioScreen STOCK5S-33478 |
 |
77.0 |
ND: not determined as maximum % inhibition insufficient to determine IC50.