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BDBM50071459 CHEMBL3410249

SMILES: Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccccc1

InChI Key: InChIKey=PNJFFNSNXGGCFS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50071459   
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 1


(Homo sapiens (Human))
BDBM50071459
PNG
(CHEMBL3410249)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccccc1
Show InChI InChI=1S/C20H19N5O/c1-13-16(10-11-18(26)23-15-7-4-3-5-8-15)14(2)25-20(22-13)17-9-6-12-21-19(17)24-25/h3-9,12H,10-11H2,1-2H3,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 850n/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
Pantothenate kinase 3


(Homo sapiens (Human))
BDBM50071459
PNG
(CHEMBL3410249)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccccc1
Show InChI InChI=1S/C20H19N5O/c1-13-16(10-11-18(26)23-15-7-4-3-5-8-15)14(2)25-20(22-13)17-9-6-12-21-19(17)24-25/h3-9,12H,10-11H2,1-2H3,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.45E+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
More data for this
Ligand-Target Pair