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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantothenate kinase 3' and Ligand = 'BDBM50071383'   
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
Pantothenate kinase 3


(Homo sapiens (Human))
BDBM50071383
PNG
(CHEMBL3410396)
Show SMILES COc1ccccc1NC(=O)CCc1c(C)nc2c3cccnc3nn2c1C
Show InChI InChI=1S/C21H21N5O2/c1-13-15(10-11-19(27)24-17-8-4-5-9-18(17)28-3)14(2)26-21(23-13)16-7-6-12-22-20(16)25-26/h4-9,12H,10-11H2,1-3H3,(H,24,27)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.60E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank3 (unknown origin) by Kinase Glo HTS assay


J Med Chem 58: 1563-8 (2015)


Article DOI: 10.1021/jm501585q
BindingDB Entry DOI: 10.7270/Q28W3G00
More data for this
Ligand-Target Pair