Reaction Details | |||
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Target | Diacylglycerol kinase alpha | ||
Ligand | BDBM43868 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1910957 (CHEMBL4413403) | ||
IC50 | 300±n/a nM | ||
Citation | Velnati, S; Ruffo, E; Massarotti, A; Talmon, M; Varma, KSS; Gesu, A; Fresu, LG; Snow, AL; Bertoni, A; Capello, D; Tron, GC; Graziani, A; Baldanzi, G Identification of a novel DGK? inhibitor for XLP-1 therapy by virtual screening. Eur J Med Chem164:378-390 (2019) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Diacylglycerol kinase alpha | |||
Name: | Diacylglycerol kinase alpha | ||
Synonyms: | 2.7.1.107 | 80 kDa diacylglycerol kinase | DAG kinase alpha | DAGK | DAGK1 | DGK-alpha | DGKA | DGKA_HUMAN | Diacylglycerol kinase alpha | Diglyceride kinase alpha | ||
Type: | PROTEIN | ||
Mol. Mass.: | 82631.86 | ||
Organism: | Homo sapiens | ||
Description: | ChEMBL_117392 | ||
Residue: | 735 | ||
Sequence: |
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BDBM43868 | |||
n/a | |||
Name | BDBM43868 | ||
Synonyms: | 3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one | 3-[2-[4-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one | 3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one | DIACYLGLYCEROL KINASE INHIBITOR II | MLS000069510 | R 59949 | SMR000058550 | cid_657356 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H25F2N3OS | ||
Mol. Mass. | 489.579 | ||
SMILES | Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)| | ||
Structure |