Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM50086349
Substrate
n/a
Meas. Tech.
ChEMBL_1476003 (CHEMBL3428359)
IC50
64±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:
CD38 | CD38_HUMAN | Lymphocyte differentiation antigen CD38
Type:
PROTEIN
Mol. Mass.:
34333.62
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1509931
Residue:
300
Sequence:
MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI
  
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: