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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231118
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
225±n/a nM
Comments
extracted
Citation
 Bregman, H; Buchanan, JL; Chakka, N; Dimauro, EF; Gunaydin, H; Guzman-Perez, A; Hua, Z; Huang, H; Huang, X; Martin, MW; Patel, VF Oxazolidinone compounds and derivatives thereof US Patent  US9340549 Publication Date 5/17/2016 
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:
BDBM231118
Synonyms:
US9340549, 143
Type:
Small organic molecule
Emp. Form.:
C27H31N3O3
Mol. Mass.:
445.5533
SMILES:
Cn1cc(C(=O)N[C@H]2CC[C@@H](CC2)N2[C@@H](c3ccccc3)C(C)(C)OC2=O)c2ccccc12 |r,wU:14.15,7.6,wD:10.13,(7.94,4.29,;6.6,3.52,;5.14,4,;4.23,2.75,;2.69,2.75,;1.93,4.08,;1.93,1.42,;.38,1.42,;-.38,.08,;-1.93,.08,;-2.69,1.42,;-1.93,2.75,;-.38,2.75,;-4.23,1.42,;-5.14,.17,;-4.74,-1.32,;-5.83,-2.41,;-5.43,-3.89,;-3.94,-4.29,;-2.86,-3.2,;-3.25,-1.71,;-6.6,.65,;-7.94,-.12,;-7.37,-.69,;-6.6,2.19,;-5.14,2.66,;-4.37,4,;5.14,1.51,;4.82,-0,;5.96,-1.03,;7.43,-.56,;7.75,.95,;6.6,1.98,)|
Structure:
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