Reaction Details Report a problem with these data
Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM588012
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:
BDBM588012
Synonyms:
US11535621, Example 261
Type:
Small organic molecule
Emp. Form.:
C19H21F2N5OS
Mol. Mass.:
405.465
SMILES:
FC(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:8.11,wD:5.4,(7.26,5.5,;7.24,4,;8.61,3.16,;5.93,3.21,;4.58,3.94,;3.23,3.19,;1.9,3.97,;.57,3.21,;.52,1.65,;1.9,.87,;3.23,1.65,;-.81,.82,;-.83,-.66,;.52,-1.52,;-2.13,-1.47,;-3.49,-.74,;-4.82,-1.47,;-4.82,-3.03,;-3.49,-3.81,;-3.15,-5.32,;-1.61,-5.5,;-.99,-4.15,;-2.19,-3.03,;-6.17,-.74,;-7.55,-1.31,;-8.61,-.17,;-7.86,1.13,;-6.32,.85,)|
Structure:
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