Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM50446538
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.109±n/a nM
Citation
 Bregman, H; Buchanan, JL; Chakka, N; Dimauro, EF; Gunaydin, H; Guzman-Perez, A; Hua, Z; Huang, X Quinazolinone compounds and derivatives thereof US Patent  US9505749 Publication Date 11/29/2016 
Target
Name:
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Synonyms:
PARP5A | PARPL | TIN1 | TINF1 | TNKS | TNKS1 | TNKS1_HUMAN | Tankyrase-1
Type:
Enzyme
Mol. Mass.:
26714.90
Organism:
Homo sapiens (Human)
Description:
O95271[1091-1325]
Residue:
235
Sequence:
QGTNPYLTFHCVNQGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPSQTATAAEQ
  
Inhibitor
Name:
BDBM50446538
Synonyms:
CHEMBL3110117 | US9505749, 97
Type:
Small organic molecule
Emp. Form.:
C25H25N5O3S
Mol. Mass.:
475.563
SMILES:
O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:20.25,wD:17.18,(59.36,-49.64,;59.35,-51.18,;58.02,-51.95,;56.68,-51.17,;55.35,-51.94,;54.02,-51.16,;52.67,-51.94,;51.33,-51.16,;50,-51.93,;48.67,-51.16,;48.67,-49.61,;50,-48.84,;51.33,-49.61,;52.67,-48.83,;52.67,-47.29,;54.02,-49.61,;60.68,-51.95,;62.02,-51.17,;63.35,-51.94,;64.68,-51.16,;64.67,-49.62,;63.33,-48.86,;62,-49.64,;66,-48.83,;67.42,-49.44,;68.44,-48.29,;67.65,-46.96,;66.15,-47.29,;68.4,-45.62,;69.94,-45.6,;70.69,-44.26,;69.9,-42.93,;68.35,-42.96,;67.61,-44.31,)|
Structure:
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