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Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM50086435
Substrate
n/a
Meas. Tech.
ChEMBL_1476004 (CHEMBL3428360)
IC50
5.2±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:
BDBM50086435
Synonyms:
CHEMBL3426036
Type:
Small organic molecule
Emp. Form.:
C23H29N3O3S
Mol. Mass.:
427.56
SMILES:
CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)OCCOC)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,;6.68,6.15,;6.68,7.69,;8.02,8.46,;8.02,10,;9.09,10.61,;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:
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