BindingDB BDBM50059637 GSK-2636771::GSK2636771::US10660898, Example 31

BDBM50059637 GSK-2636771::GSK2636771::US10660898, Example 31

SMILES Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O

InChI Key InChIKey=XTKLTGBKIDQGQL-UHFFFAOYSA-N

Data 12 IC50 5 EC50

Found 1 hit for monomerid = 50059637

BDBM50059637(GSK-2636771 | GSK2636771 | US10660898, Example 31)

IC50: >5.80E+3nMAssay Description:Inhibition of choline acetyltransferase (ChAT) activityMore data for this Ligand-Target Pair

Targets 8▿
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 9
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 2
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta 1
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
Publications 4▿
- ACS Med Chem Lett 11: 1236-1243 (2020) 9
- J Med Chem 63: 14700-14723 (2020) 2
- J Med Chem 58: 41-71 (2015) 1
- US Patent US10660898 (2020) 1
Institutions 4▿
- Gilead Sciences 9
- Lupin 2
- Glaxosmithkline 1
- University Hospital Hradec Kralove 1
Affinity: 0.89 to 1.3E+4 nM▿
- IC50 12
- EC50 5
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1