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Target
Alpha-1-antitrypsin-related protein
Ligand
BDBM50577295
Substrate
n/a
Meas. Tech.
ChEMBL_2129942 (CHEMBL4839371)
IC50
8300±n/a nM
Citation
 Berger, M; Wortmann, L; Buchgraber, P; Lücking, U; Zitzmann-Kolbe, S; Wengner, AM; Bader, B; Bömer, U; Briem, H; Eis, K; Rehwinkel, H; Bartels, F; Moosmayer, D; Eberspächer, U; Lienau, P; Hammer, S; Schatz, CA; Wang, Q; Wang, Q; Mumberg, D; Nising, CF; Siemeister, G BAY-8400: A Novel Potent and Selective DNA-PK Inhibitor which Shows Synergistic Efficacy in Combination with Targeted Alpha Therapies. J Med Chem 64:12723-12737 (2021) [PubMed]  Article 
Target
Name:
Alpha-1-antitrypsin-related protein
Synonyms:
A1ATR_HUMAN | ARGS | ATR | PIL | Protease inhibitor 1-like | Putative alpha-1-antitrypsin-related protein | SERPINA2 | SERPINA2P | Serpin A2
Type:
PROTEIN
Mol. Mass.:
47899.52
Organism:
Homo sapiens
Description:
ChEMBL_120395
Residue:
420
Sequence:
MPFSVSWGVLLLAGLCCLVPSSLVEDPQGDAAQKTDTSHHDQGDWEDLACQKISYNVTDLAFDLYKSWLIYHNQHVLVTPTSVAMAFRMLSLGTKADTRTEILEGLNVNLTETPEAKIHECFQQVLQALSRPDTRLQLTTGSSLFVNKSMKLVDTFLEDTKKLYHSEASSINFRDTEEAKEQINNYVEKRTGRKVVDLVKHLKKDTSLALVDYISFHGKWKDKFKAERIMVEGFHVDDKTIIRVPMINHLGRFDIHRDRELSSWVLAQHYVGNATAFFILPDPKKMWQLEEKLTYSHLENIQRAFDIRSINLHFPKLSISGTYKLKRVPRNLGITKIFSNEADLSGVSQEAPLKLSKAVHVAVLTIDEKGTEATGAPHLEEKAWSKYQTVMFNRPFLVIIKEYITNFPLFIGKVVNPTQK
  
Inhibitor
Name:
BDBM50577295
Synonyms:
CHEMBL4873263
Type:
Small organic molecule
Emp. Form.:
C20H15F2N5O
Mol. Mass.:
379.3628
SMILES:
[H][C@@]12COC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|
Structure:
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