Reaction Details Report a problem with these data
Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM50461157
Substrate
n/a
Meas. Tech.
ChEMBL_1770717 (CHEMBL4222829)
IC50
51±n/a nM
Citation
 Deaton, DN; Haffner, CD; Henke, BR; Jeune, MR; Shearer, BG; Stewart, EL; Stuart, JD; Ulrich, JC 2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of the 2-position structure-activity relationships. Bioorg Med Chem 26:2107-2150 (2018) [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:
BDBM50461157
Synonyms:
CHEMBL4227839
Type:
Small organic molecule
Emp. Form.:
C23H21F4N7O
Mol. Mass.:
487.4528
SMILES:
C[C@H]1N(Cc2c[nH]nc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:11|
Structure:
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