Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | ||
Ligand | BDBM50542076 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1985904 (CHEMBL4619310) | ||
IC50 | 22±n/a nM | ||
Citation | Iwaki, Y; Ohhata, A; Nakatani, S; Hisaichi, K; Okabe, Y; Hiramatsu, A; Watanabe, T; Yamamoto, S; Nishiyama, T; Kobayashi, J; Hirooka, Y; Moriguchi, H; Maeda, T; Katoh, M; Komichi, Y; Ota, H; Matsumura, N; Okada, M; Sugiyama, T; Saga, H; Imagawa, A ONO-8430506: A Novel Autotaxin Inhibitor That Enhances the Antitumor Effect of Paclitaxel in a Breast Cancer Model. ACS Med Chem Lett11:1335-1341 (2020) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | |||
Name: | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | ||
Synonyms: | ATX | Autotaxin | Autotaxin (ATX) | E-NPP 2 | ENPP2 | ENPP2_HUMAN | Ectonucleotide Pyrophosphatase/Phosphodiesterase 2 (ENPP2) | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP2) | Extracellular lysophospholipase D | LysoPLD | PDNP2 | ||
Type: | Enzyme | ||
Mol. Mass.: | 99007.13 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q13822 | ||
Residue: | 863 | ||
Sequence: |
| ||
BDBM50542076 | |||
n/a | |||
Name | BDBM50542076 | ||
Synonyms: | CHEMBL4643803 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H29F2N3O3 | ||
Mol. Mass. | 481.5343 | ||
SMILES | C[C@@]1(CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1)C(O)=O |r,wU:4.4,wD:1.36,(23.5,-7.33,;22.75,-8.66,;22.27,-7.2,;20.76,-6.87,;19.74,-8.02,;18.23,-7.71,;17.2,-8.85,;17.68,-10.32,;15.7,-8.53,;15.21,-7.06,;13.69,-6.73,;12.66,-7.89,;13.15,-9.37,;14.66,-9.69,;11.89,-10.27,;11.89,-11.81,;10.55,-12.57,;9.22,-11.8,;7.89,-12.56,;7.89,-14.1,;6.55,-14.87,;9.23,-14.88,;10.56,-14.11,;11.89,-14.87,;10.64,-9.37,;9.14,-9.68,;8.11,-8.54,;8.59,-7.07,;10.1,-6.75,;11.12,-7.9,;20.21,-9.49,;21.71,-9.81,;24.25,-8.99,;25.28,-7.85,;24.72,-10.45,)| | ||
Structure |