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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM395044'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Pantetheinase


(Homo sapiens (Human))		BDBM395044
PNG
(US10308615, Example 55 | {2-[(4- methoxybenzyl) am...)
Show SMILES COc1ccc(CNc2ncc(cn2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O2/c1-28-17-8-2-13(3-9-17)10-24-19-25-11-15(12-26-19)18(27)14-4-6-16(7-5-14)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<16.5n/an/an/an/an/an/a



GSK



Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...

Bioorg Med Chem Lett 19: 3664-8 (2009)


BindingDB Entry DOI: 10.7270/Q22809Z8
More data for this
Ligand-Target Pair