BindingDB

null

SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F

InChI Key InChIKey=STUWGJZDJHPWGZ-LBPRGKRZSA-N

PDB links: 8 PDB IDs match this monomer.

Found 1 hit for monomerid = 50436459

Serine/threonine-protein kinase ATR(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL

BDBM50436459(CHEMBL2396661)copy SMILEScopy InChI

IC50: 9.10E+3nMAssay Description:Inhibition of ATR (unknown origin)More data for this Ligand-Target Pair

Targets 14 ▿
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 11
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 8
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 7
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 5
- Serine/threonine-protein kinase mTOR 3
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform 2
- Serine-protein kinase ATM 1
- Phosphatidylinositol 3-kinase catalytic subunit type 3 1
- DNA-dependent protein kinase catalytic subunit 1
- Cellular tumor antigen p53 1
- Serine/threonine-protein kinase ATR 1
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
- Cytochrome P450 3A4 1
- ...
Publications 5 ▿
- Bioorg Med Chem Lett 23: 3741-8 (2013) 14
- Bioorg Med Chem Lett 25: 3582-4 (2015) 7
- Bioorg Med Chem Lett 25: 3569-74 (2015) 5
- Bioorg Med Chem 25: 2657-2665 (2017) 1
- J Med Chem 60: 47-65 (2017) 1
Institutions 3 ▿
- [Novartis Institutes for BioMedical Research] 26
- [University of Oxford, Curtin University] 1
- [University of Oxford, Curtin University] 1
Affinity: 3.9 to 1.0E+4 nM▿
- IC50 45
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1