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SMILES: CC(C)[C@@H]1COc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O

InChI Key: InChIKey=UQTZZKNJNZNPBW-GJZGRUSLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 408810   
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))		BDBM408810
PNG
(US10364255, Ex. 2)
Show SMILES CC(C)[C@@H]1COc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r|
Show InChI InChI=1S/C18H26N4O3/c1-11(2)15-10-25-16-7-13(8-19-17(16)20-15)18(24)22-6-5-14(9-22)21(4)12(3)23/h7-8,11,14-15H,5-6,9-10H2,1-4H3,(H,19,20)/t14-,15-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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