Reaction Details | |||
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Target | Choline kinase alpha | ||
Ligand | BDBM50146014 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1554261 (CHEMBL3766475) | ||
IC50 | 20±n/a nM | ||
Citation | Zech, SG; Kohlmann, A; Zhou, T; Li, F; Squillace, RM; Parillon, LE; Greenfield, MT; Miller, DP; Qi, J; Thomas, RM; Wang, Y; Xu, Y; Miret, JJ; Shakespeare, WC; Zhu, X; Dalgarno, DC Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J Med Chem59:671-86 (2016) [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: |
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BDBM50146014 | |||
n/a | |||
Name | BDBM50146014 | ||
Synonyms: | CHEMBL3765554 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H35NO3 | ||
Mol. Mass. | 421.5717 | ||
SMILES | O[C@@](CCc1ccccc1OC1CCOCC1)(C1CN2CCC1CC2)c1ccccc1 |r,wU:1.1,(.04,-1,;1.1,-1.63,;-.24,-2.39,;-.26,-3.93,;-1.6,-4.68,;-2.93,-3.9,;-4.27,-4.66,;-4.28,-6.2,;-2.96,-6.98,;-1.62,-6.22,;-.29,-7.01,;-.31,-8.55,;1.01,-9.34,;.99,-10.88,;-.36,-11.63,;-1.68,-10.84,;-1.66,-9.3,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;1.11,-.09,;2.45,.67,;2.47,2.21,;1.14,2.99,;-.2,2.24,;-.22,.7,)| | ||
Structure |