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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | ||
| Ligand | BDBM608808 | ||
| Substrate/Competitor | BDBM608816 | ||
| Meas. Tech. | ENPP1 Activity Assay | ||
| IC50 | <500±n/a nM | ||
| Citation |  Li, L; Smith, M; Shaw, KE; Carozza, JA; Boehnert, V ENPP1 inhibitors and their use for the treatment of cancer US Patent US11701371 Publication Date 7/18/2023 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | |||
| Name: | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | ||
| Synonyms: | ENPP1 | ENPP1_HUMAN | M6S1 | NPPS | PC1 | PDNP1 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 104934.43 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_1448940 | ||
| Residue: | 925 | ||
| Sequence: |
| ||
| BDBM608808 | |||
| BDBM608816 | |||
| Name | BDBM608808 | ||
| Synonyms: | US11701371, Compound 82 | US11707471, Compound 82 | US20230277570, Compound 82 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H25N2O5P | ||
| Mol. Mass. | 380.3753 | ||
| SMILES | COc1cc2ncnc([C@H]3CC[C@H](CCP(O)(O)=O)CC3)c2cc1OC |r,wU:9.8,wD:12.12,(-5.28,-5.55,;-4.1,-6.54,;-2.77,-5.78,;-1.44,-6.54,;-.1,-5.78,;1.23,-6.54,;2.56,-5.78,;2.56,-4.23,;1.23,-3.47,;1.23,-1.93,;-.1,-1.15,;-.1,.38,;1.23,1.15,;1.23,2.69,;2.56,3.47,;2.56,5,;4.1,5,;1.02,5,;2.56,6.54,;2.56,.38,;2.56,-1.15,;-.1,-4.23,;-1.44,-3.47,;-2.77,-4.23,;-4.1,-3.47,;-3.84,-1.95,)| | ||
| Structure | 
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