Reaction Details Report a problem with these data
Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM588011
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
<10±n/a nM
Citation
 Schenkel, LB; Vasbinder, MM; Kuntz, KW; Perl, NR; Downing, J Heterobicyclic amides as inhibitors of CD38 US Patent  US11535621 Publication Date 12/27/2022 
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:
BDBM588011
Synonyms:
US11535621, Example 260
Type:
Small organic molecule
Emp. Form.:
C20H24N4O2S
Mol. Mass.:
384.495
SMILES:
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:7.10,wD:4.3,(5.97,5.49,;5.94,3.98,;7.29,4.73,;7.24,3.09,;4.56,3.15,;3.21,3.9,;1.91,3.15,;1.89,1.61,;3.24,.83,;4.56,1.61,;.53,.78,;.51,-.7,;1.86,-1.56,;-.79,-1.48,;-2.15,-.75,;-3.47,-1.48,;-3.5,-3.04,;-2.15,-3.8,;-1.83,-5.3,;-.27,-5.49,;.35,-4.13,;-.85,-3.04,;-4.85,-.75,;-6.25,-1.33,;-7.29,-.21,;-6.51,1.09,;-5.01,.81,)|
Structure:
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