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SMILES: FC(F)(F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1

InChI Key:

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 587921   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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


(Homo sapiens (Human))		BDBM587921
PNG
(US11535621, Example 171)
Show SMILES FC(F)(F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(7.27,4.81,;5.93,4.04,;6.7,2.71,;5.16,5.38,;4.6,3.27,;3.22,4.02,;1.89,3.25,;1.89,1.71,;3.22,.94,;4.55,1.71,;.55,.94,;.55,-.6,;1.89,-1.37,;-.78,-1.37,;-2.12,-.6,;-3.45,-1.37,;-3.45,-2.91,;-2.12,-3.68,;-1.8,-5.19,;-.26,-5.35,;.36,-3.94,;-.78,-2.91,;-4.78,-.6,;-6.19,-1.23,;-7.22,-.09,;-6.45,1.25,;-4.94,.93,)|
PDB
MMDB

KEGG

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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z89H88
More data for this
Ligand-Target Pair