Reaction Details | |||
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Target | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | ||
Ligand | BDBM50086333 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1476003 (CHEMBL3428359) | ||
IC50 | 58±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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BDBM50086333 | |||
n/a | |||
Name | BDBM50086333 | ||
Synonyms: | CHEMBL3426027 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H26N4O2S | ||
Mol. Mass. | 410.532 | ||
SMILES | CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)C(=O)NC)cc1=O)-c1cncs1 |r,wU:14.18,wD:11.11,(2.4,-3.69,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;4.01,6.15,;2.68,5.39,;6.68,6.14,;6.69,7.37,;8.01,5.36,;9.08,5.97,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| | ||
Structure |