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BDBM50071514 CHEMBL3410241

SMILES: Fc1ccc(CC(=O)N2CCN(CC2)c2nc3c(Cl)cccc3s2)cc1

InChI Key: InChIKey=KBAYNSGKTDYHHM-UHFFFAOYSA-N

Data: 1 EC50

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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 = 50071514   
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
Pantothenate kinase 3


(Homo sapiens (Human))
BDBM50071514
PNG
(CHEMBL3410241)
Show SMILES Fc1ccc(CC(=O)N2CCN(CC2)c2nc3c(Cl)cccc3s2)cc1
Show InChI InChI=1S/C19H17ClFN3OS/c20-15-2-1-3-16-18(15)22-19(26-16)24-10-8-23(9-11-24)17(25)12-13-4-6-14(21)7-5-13/h1-7H,8-12H2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.51E+3n/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Activation 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