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Target
Alpha-1-antitrypsin-related protein
Ligand
BDBM50577302
Substrate
n/a
Meas. Tech.
ChEMBL_2129942 (CHEMBL4839371)
IC50
>10000±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:
BDBM50577302
Synonyms:
CHEMBL4860129
Type:
Small organic molecule
Emp. Form.:
C22H21F2N5O
Mol. Mass.:
409.4318
SMILES:
CO[C@H]1CC[C@@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,wD:2.1,(43.27,-45.09,;42.81,-46.55,;43.84,-47.68,;43.38,-49.15,;44.41,-50.29,;45.91,-49.96,;46.38,-48.49,;45.35,-47.35,;46.95,-51.09,;48.48,-50.92,;49.11,-52.31,;47.98,-53.34,;48,-54.9,;46.66,-55.68,;45.32,-54.91,;43.99,-55.69,;42.65,-54.91,;42.66,-53.37,;43.99,-52.6,;45.32,-53.36,;46.65,-52.59,;41.32,-52.6,;40,-53.37,;38.67,-52.61,;38.66,-51.06,;39.99,-50.29,;41.33,-51.06,;39.99,-48.76,;41.32,-47.99,;38.66,-47.99,)|
Structure:
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