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SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2NC3(CC3)COc2c1)S(=O)(=O)C1CC1

InChI Key: InChIKey=GNEJQRFFAGXYKJ-ZDUSSCGKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 408827   
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
Pantetheinase


(Homo sapiens (Human))		BDBM408827
PNG
(US10364255, Ex. 19)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC3(CC3)COc2c1)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C18H24N4O4S/c1-21(27(24,25)14-2-3-14)13-4-7-22(10-13)17(23)12-8-15-16(19-9-12)20-18(5-6-18)11-26-15/h8-9,13-14H,2-7,10-11H2,1H3,(H,19,20)/t13-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/an/an/an/an/an/a



Boehringer Ingleheim International GmbH

US Patent


Assay Description
Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...

US Patent US10364255 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S8N
More data for this
Ligand-Target Pair