Reaction Details Report a problem with these data
Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM588014
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:
BDBM588014
Synonyms:
US11535621, Example 263
Type:
Small organic molecule
Emp. Form.:
C20H22N4O2S
Mol. Mass.:
382.479
SMILES:
OC1(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:7.11,wD:4.4,(7.29,3.22,;5.97,4.1,;6.69,5.4,;5.19,5.37,;4.6,3.28,;3.25,4.03,;1.93,3.28,;1.9,1.75,;3.28,.97,;4.6,1.72,;.56,.92,;.51,-.58,;1.9,-1.44,;-.79,-1.39,;-2.14,-.66,;-3.48,-1.39,;-3.48,-2.94,;-2.14,-3.74,;-1.83,-5.22,;-.27,-5.4,;.35,-4.03,;-.82,-2.94,;-4.83,-.66,;-6.25,-1.23,;-7.29,-.09,;-6.51,1.23,;-4.99,.95,)|
Structure:
Search PDB for entries with ligand similarity: