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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline kinase alpha | ||
| Ligand | BDBM50154642 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_304634 (CHEMBL828518) | ||
| IC50 | 8800.0±n/a nM | ||
| Citation |  Conejo-García, A; Báñez-Coronel, M; Sánchez-Martín, RM; Rodríguez-González, A; Ramos, A; Ramírez de Molina, A; Espinosa, A; Gallo, MA; Campos, JM; Lacal, JC Influence of the linker in bispyridium compounds on the inhibition of human choline kinase. J Med Chem47:5433-40 (2004) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Choline kinase alpha | |||
| Name: | Choline kinase alpha | ||
| Synonyms: | CHK | CHKA | CHKA_HUMAN | CKI | Choline kinase alpha | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 52248.44 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_1290064 | ||
| Residue: | 457 | ||
| Sequence: |
| ||
| BDBM50154642 | |||
| n/a | |||
| Name | BDBM50154642 | ||
| Synonyms: | 4-hexahydro-1-pyridinyl-1-{4-[4-(4-hexahydro-1-pyridinyl-1-pyridiniumylmethyl)phenyl]benzyl}pyridinium; dibromide | CHEMBL186136 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H40N4 | ||
| Mol. Mass. | 504.7071 | ||
| SMILES | C(c1ccc(cc1)-c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)n1ccc(cc1)=[N+]1CCCCC1 |(-4.88,-2.66,;-3.33,-2.66,;-2.58,-1.33,;-1.03,-1.33,;-.26,-2.66,;-1.03,-3.99,;-2.58,-3.99,;1.28,-2.66,;2.05,-1.33,;3.58,-1.32,;4.37,-2.66,;5.91,-2.66,;6.68,-1.33,;8.21,-1.33,;8.99,,;8.21,1.34,;6.65,1.34,;5.91,,;8.98,2.68,;10.51,2.68,;11.28,4.01,;10.51,5.34,;8.98,5.34,;8.21,4.01,;3.58,-3.99,;2.05,-3.99,;-5.66,-1.33,;-7.02,-2.05,;-8.34,-1.23,;-8.29,.29,;-6.93,1.02,;-5.61,.21,;-9.59,1.1,;-9.55,2.65,;-10.86,3.47,;-12.19,2.75,;-12.26,1.2,;-10.95,.38,)| | ||
| Structure | 
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