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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantothenate kinase 1' and Ligand = 'BDBM50071412'   
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 1


(Homo sapiens (Human))
BDBM50071412
PNG
(CHEMBL3410397)
Show SMILES COc1cccc(CNC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Show InChI InChI=1S/C22H23N5O2/c1-14-18(9-10-20(28)24-13-16-6-4-7-17(12-16)29-3)15(2)27-22(25-14)19-8-5-11-23-21(19)26-27/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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 Pank1beta (unknown origin) by Kinase Glo HTS assay


J Med Chem 58: 1563-8 (2015)


Article DOI: 10.1021/jm501585q
More data for this
Ligand-Target Pair