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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline/ethanolamine kinase | ||
| Ligand | BDBM50447102 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1289894 (CHEMBL3119749) | ||
| Kd | 22000±n/a nM | ||
| Citation |  Rubio-Ruiz, B; Figuerola-Conchas, A; Ramos-Torrecillas, J; Capitán-Cañadas, F; Ríos-Marco, P; Carrasco, MP; Gallo, MÁ; Espinosa, A; Marco, C; Ruiz, C; Entrena, A; Hurtado-Guerrero, R; Conejo-García, A Discovery of a new binding site on human choline kinasea1: design, synthesis, crystallographic studies, and biological evaluation of asymmetrical bispyridinium derivatives. J Med Chem57:507-15 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Choline/ethanolamine kinase | |||
| Name: | Choline/ethanolamine kinase | ||
| Synonyms: | CHETK | CHKB | CHKB_HUMAN | CHKL | CK | CKB | CKEKB | Choline kinase beta | Choline kinase-like protein | EK | EKB | Ethanolamine kinase | Ethanolamine kinase beta | choline/ethanolamine kinase beta | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 45262.79 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_108033 | ||
| Residue: | 395 | ||
| Sequence: |
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| BDBM50447102 | |||
| n/a | |||
| Name | BDBM50447102 | ||
| Synonyms: | CHEMBL3112879 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C37H41ClN4 | ||
| Mol. Mass. | 577.2 | ||
| SMILES | C[N+](C)=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(cc4)=[N+](C)c4ccc(Cl)cc4)cc3)cc2)cc1 |(32.88,-47.23,;34.42,-47.29,;35.21,-45.97,;35.19,-48.62,;36.73,-48.62,;37.5,-49.95,;36.72,-51.28,;37.49,-52.62,;39.03,-52.62,;39.8,-53.96,;41.34,-53.96,;42.11,-52.62,;43.65,-52.62,;44.42,-53.95,;45.96,-53.95,;46.73,-55.28,;48.27,-55.29,;49.03,-56.63,;50.57,-56.63,;51.34,-55.3,;52.88,-55.3,;53.65,-56.64,;52.87,-57.96,;53.64,-59.3,;55.18,-59.3,;55.95,-57.96,;55.18,-56.63,;55.95,-60.63,;55.16,-61.95,;57.5,-60.69,;58.21,-62.06,;59.75,-62.12,;60.58,-60.82,;62.12,-60.87,;59.85,-59.44,;58.31,-59.39,;50.57,-53.96,;49.03,-53.96,;41.33,-51.28,;39.79,-51.29,;35.19,-51.29,;34.42,-49.96,)| | ||
| Structure | 
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