Reaction Details Report a problem with these data
Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM588015
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:
BDBM588015
Synonyms:
N-((1R,4r)-4-((R)-1-hydroxyethyl)cyclohexyl)-5-(1H-imidazol-1-yl)thieno[2,3-c]pyridine-7-carboxamide and N-((1S,4r)-4-((S)-1-hydroxyethyl)cyclohexyl)-5-(1H-imidazol-1-yl)thieno[2,3-c]pyridine-7-carboxamide | US11535621, Example 264a
Type:
Small organic molecule
Emp. Form.:
C19H22N4O2S
Mol. Mass.:
370.469
SMILES:
C[C@@H](O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:6.9,1.1,wD:3.3,(5.95,13.15,;5.95,11.61,;7.26,10.73,;4.58,10.78,;3.24,11.53,;1.92,10.78,;1.9,9.26,;3.26,8.49,;4.58,9.23,;.55,8.43,;.5,6.94,;1.9,6.09,;-.79,6.14,;-2.13,6.86,;-3.47,6.14,;-3.47,4.59,;-2.13,3.79,;-1.82,2.32,;-.27,2.14,;.35,3.51,;-.81,4.59,;-4.81,6.86,;-6.23,6.29,;-7.26,7.43,;-6.49,8.74,;-4.97,8.46,)|
Structure:
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