Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM50086349
Substrate
n/a
Meas. Tech.
ChEMBL_1476004 (CHEMBL3428360)
IC50
8.0±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:
BDBM50086349
Synonyms:
CHEMBL3426059
Type:
Small organic molecule
Emp. Form.:
C21H26N4O3S
Mol. Mass.:
414.521
SMILES:
COCCO[C@H]1CC[C@@H](CC1)Nc1nc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;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: