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SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2NCCOc2c1)C(C)=O

InChI Key: InChIKey=JYMNMPZSQDMPFC-LBPRGKRZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 408847   
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))		BDBM408847
PNG
(US10364255, Ex. 39)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NCCOc2c1)C(C)=O |r|
Show InChI InChI=1S/C15H20N4O3/c1-10(20)18(2)12-3-5-19(9-12)15(21)11-7-13-14(17-8-11)16-4-6-22-13/h7-8,12H,3-6,9H2,1-2H3,(H,16,17)/t12-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 8.10n/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