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Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM50086317
Substrate
n/a
Meas. Tech.
ChEMBL_1476004 (CHEMBL3428360)
IC50
12±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 Chem 58:3548-71 (2015) [PubMed]  Article 
Target
Name:
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Synonyms:
ADP-ribosyl cyclase 1 | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | ADPRC 1 | CD38_MOUSE | CD_antigen=CD38 | Cd38 | Cyclic ADP-ribose hydrolase 1 | I-19 | NIM-R5 antigen | cADPr hydrolase 1
Type:
PROTEIN
Mol. Mass.:
34417.04
Organism:
Mus musculus
Description:
ChEMBL_109609
Residue:
304
Sequence:
MANYEFSQVSGDRPGCRLSRKAQIGLGVGLLVLIALVVGIVVILLRPRSLLVWTGEPTTKHFSDIFLGRCLIYTQILRPEMRDQNCQEILSTFKGAFVSKNPCNITREDYAPLVKLVTQTIPCNKTLFWSKSKHLAHQYTWIQGKMFTLEDTLLGYIADDLRWCGDPSTSDMNYVSCPHWSENCPNNPITVFWKVISQKFAEDACGVVQVMLNGSLREPFYKNSTFGSVEVFSLDPNKVHKLQAWVMHDIEGASSNACSSSSLNELKMIVQKRNMIFACVDNYRPARFLQCVKNPEHPSCRLNT
  
Inhibitor
Name:
BDBM50086317
Synonyms:
CHEMBL3426193
Type:
Small organic molecule
Emp. Form.:
C20H23N5OS
Mol. Mass.:
381.495
SMILES:
CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(10.41,5.51,;9.35,6.13,;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,;1.33,-1.54,;,-.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:
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