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BDBM50071452 CHEMBL3410399

SMILES: COC(=O)c1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1

InChI Key: InChIKey=IHIMZEBMCPKTGI-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 = 50071452   
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))
BDBM50071452
PNG
(CHEMBL3410399)
Show SMILES COC(=O)c1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Show InChI InChI=1S/C22H21N5O3/c1-13-17(14(2)27-21(24-13)18-8-5-11-23-20(18)26-27)9-10-19(28)25-16-7-4-6-15(12-16)22(29)30-3/h4-8,11-12H,9-10H2,1-3H3,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(Homo sapiens (Human))
BDBM50071452
PNG
(CHEMBL3410399)
Show SMILES COC(=O)c1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Show InChI InChI=1S/C22H21N5O3/c1-13-17(14(2)27-21(24-13)18-8-5-11-23-20(18)26-27)9-10-19(28)25-16-7-4-6-15(12-16)22(29)30-3/h4-8,11-12H,9-10H2,1-3H3,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 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