Reaction Details | |||
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Target | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | ||
Ligand | BDBM50086335 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1476003 (CHEMBL3428359) | ||
IC50 | 4.8±n/a nM | ||
Citation | Haffner, CD; Becherer, JD; Boros, EE; Cadilla, R; Carpenter, T; Cowan, D; Deaton, DN; Guo, Y; Harrington, W; Henke, BR; Jeune, MR; Kaldor, I; Milliken, N; Petrov, KG; Preugschat, F; Schulte, C; Shearer, BG; Shearer, T; Smalley, TL; Stewart, EL; Stuart, JD; Ulrich, JC Discovery, Synthesis, and Biological Evaluation of Thiazoloquin(az)olin(on)es as Potent CD38 Inhibitors. J Med Chem58:3548-71 (2015) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | |||
Name: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | ||
Synonyms: | CD38 | CD38_HUMAN | Lymphocyte differentiation antigen CD38 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 34333.62 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_1509931 | ||
Residue: | 300 | ||
Sequence: |
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BDBM50086335 | |||
n/a | |||
Name | BDBM50086335 | ||
Synonyms: | CHEMBL3426066 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H24N4O2S | ||
Mol. Mass. | 396.506 | ||
SMILES | CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| | ||
Structure |