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BDBM50071453 CHEMBL3410400

SMILES: CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1

InChI Key: InChIKey=RKBKSBWJKXNNQO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50071453   
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))
BDBM50071453
PNG
(CHEMBL3410400)
Show SMILES CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1
Show InChI InChI=1S/C22H22N6O2/c1-13-18(14(2)28-22(24-13)19-5-4-12-23-21(19)27-28)10-11-20(30)26-17-8-6-16(7-9-17)25-15(3)29/h4-9,12H,10-11H2,1-3H3,(H,25,29)(H,26,30)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/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
Pantothenate kinase 1


(Homo sapiens (Human))
BDBM50071453
PNG
(CHEMBL3410400)
Show SMILES CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1
Show InChI InChI=1S/C22H22N6O2/c1-13-18(14(2)28-22(24-13)19-5-4-12-23-21(19)27-28)10-11-20(30)26-17-8-6-16(7-9-17)25-15(3)29/h4-9,12H,10-11H2,1-3H3,(H,25,29)(H,26,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 640n/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