Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM50086437
Substrate
n/a
Meas. Tech.
ChEMBL_1476004 (CHEMBL3428360)
IC50
1.6±n/a nM
Citation
 Haffner, CDBecherer, JDBoros, EECadilla, RCarpenter, TCowan, DDeaton, DNGuo, YHarrington, WHenke, BRJeune, MRKaldor, IMilliken, NPetrov, KGPreugschat, FSchulte, CShearer, BGShearer, TSmalley, TLStewart, ELStuart, JDUlrich, 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:
BDBM50086437
Synonyms:
CHEMBL3426038
Type:
Small organic molecule
Emp. Form.:
C20H23N3O2S
Mol. Mass.:
369.481
SMILES:
CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;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:
Search PDB for entries with ligand similarity: