Reaction Details Report a problem with these data
Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM50600833
Substrate
n/a
Meas. Tech.
ChEMBL_2235122 (CHEMBL5148894)
IC50
3.0±n/a nM
Citation
 Lagu, B; Wu, X; Kulkarni, S; Paul, R; Becherer, JD; Olson, L; Ravani, S; Chatzianastasiou, A; Papapetropoulos, A; Andrzejewski, S Orally Bioavailable Enzymatic Inhibitor of CD38,  J Med Chem 65:9418-9446 (2022) [PubMed] 
Target
Name:
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Synonyms:
ADP-ribosyl cyclase 1 | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | ADPRC 1 | CD38_MOUSE | CD_antigen=CD38 | Cd38 | Cyclic ADP-ribose hydrolase 1 | I-19 | NIM-R5 antigen | cADPr hydrolase 1
Type:
PROTEIN
Mol. Mass.:
34417.04
Organism:
Mus musculus
Description:
ChEMBL_109609
Residue:
304
Sequence:
MANYEFSQVSGDRPGCRLSRKAQIGLGVGLLVLIALVVGIVVILLRPRSLLVWTGEPTTKHFSDIFLGRCLIYTQILRPEMRDQNCQEILSTFKGAFVSKNPCNITREDYAPLVKLVTQTIPCNKTLFWSKSKHLAHQYTWIQGKMFTLEDTLLGYIADDLRWCGDPSTSDMNYVSCPHWSENCPNNPITVFWKVISQKFAEDACGVVQVMLNGSLREPFYKNSTFGSVEVFSLDPNKVHKLQAWVMHDIEGASSNACSSSSLNELKMIVQKRNMIFACVDNYRPARFLQCVKNPEHPSCRLNT
  
Inhibitor
Name:
BDBM50600833
Synonyms:
CHEMBL5172896
Type:
Small organic molecule
Emp. Form.:
C20H24N4O3S
Mol. Mass.:
400.495
SMILES:
COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc2[nH]ccc12)-c1cncs1 |r,wU:8.11,wD:5.4,(-4.55,-8.99,;-4.55,-7.45,;-3.21,-6.69,;-3.21,-5.16,;-1.88,-4.4,;-1.88,-2.86,;-.54,-2.1,;-.54,-.55,;-1.86,.21,;-3.2,-.55,;-3.2,-2.09,;-1.86,1.75,;-.53,2.51,;.8,1.75,;-.53,4.05,;.8,4.83,;.8,6.37,;-.53,7.13,;-1.86,6.37,;-3.33,6.85,;-4.24,5.6,;-3.33,4.35,;-1.86,4.83,;2.13,7.14,;3.53,6.51,;4.55,7.66,;3.79,8.99,;2.28,8.67,)|
Structure:
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