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SMILES: O=C(N[C@H]1CC[C@@H](CC1)C#N)c1nc(nc2cc[nH]c12)-n1ccnc1

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 587898   
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))		BDBM587898
PNG
(US11535621, Example 148)
Show SMILES O=C(N[C@H]1CC[C@@H](CC1)C#N)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(1.89,-1.09,;.55,-.32,;.55,1.22,;1.89,1.99,;1.89,3.53,;3.22,4.3,;4.6,3.56,;4.55,1.99,;3.22,1.22,;5.93,4.33,;7.27,5.1,;-.78,-1.09,;-2.12,-.32,;-3.45,-1.09,;-3.45,-2.63,;-2.12,-3.4,;-1.8,-4.91,;-.26,-5.07,;.36,-3.66,;-.78,-2.63,;-4.78,-.32,;-6.19,-.95,;-7.22,.2,;-6.45,1.53,;-4.94,1.21,)|
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