Reaction Details | |||
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Target | Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] | ||
Ligand | BDBM231079 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Tankyrase Biochemical Assays | ||
Temperature | 298.15±n/a K | ||
IC50 | 93±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 | ||
More Info.: | Get all data from this article, Assay Method | ||
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] | |||
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: |
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BDBM231079 | |||
n/a | |||
Name | BDBM231079 | ||
Synonyms: | US9340549, 104 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H25F2N3O3 | ||
Mol. Mass. | 441.4704 | ||
SMILES | CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(F)cc(F)c2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.43,.02,;-6.1,.79,;-6.87,-.54,;-6.1,2.33,;-4.63,2.81,;-3.86,4.14,;-3.73,1.56,;-4.63,.32,;-4.24,-1.17,;-5.32,-2.26,;-4.93,-3.75,;-3.44,-4.14,;-2.35,-3.05,;-2.75,-1.57,;-2.19,1.56,;-1.42,2.9,;.12,2.9,;.89,1.56,;.12,.23,;-1.42,.23,;2.43,1.56,;3.34,.32,;3.02,-1.19,;4.16,-2.22,;3.76,-3.71,;5.63,-1.74,;5.95,-.24,;7.43,.16,;4.8,.79,;4.8,2.33,;3.34,2.81,;2.57,4.14,)| | ||
Structure |