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SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@@H](COc2c1)c1ccccc1)C(C)=O

InChI Key: InChIKey=LAWSIEBSAFLQEO-ROUUACIJSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 408840   
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))		BDBM408840
PNG
(US10364255, Ex. 31)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@@H](COc2c1)c1ccccc1)C(C)=O |r|
Show InChI InChI=1S/C21H24N4O3/c1-14(26)24(2)17-8-9-25(12-17)21(27)16-10-19-20(22-11-16)23-18(13-28-19)15-6-4-3-5-7-15/h3-7,10-11,17-18H,8-9,12-13H2,1-2H3,(H,22,23)/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.75E+3n/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