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Found 1 hit Enz. Inhib. hit(s) with Target = 'ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1' and Ligand = 'BDBM50086349'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086349
PNG
(CHEMBL3426059)
Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1nc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
Show InChI InChI=1/C21H26N4O3S/c1-25-18-8-3-14(19-12-22-13-29-19)11-17(18)20(24-21(25)26)23-15-4-6-16(7-5-15)28-10-9-27-2/h3,8,11-13,15-16H,4-7,9-10H2,1-2H3,(H,23,24,26)/t15-,16-
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
More data for this
Ligand-Target Pair