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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TNNI3K' and Ligand = 'BDBM50118473'   
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
Serine/threonine-protein kinase TNNI3K


(Homo sapiens (Human))
BDBM50118473
PNG
(CHEMBL3613194)
Show SMILES CNc1ccc(cc1Nc1ncnc2[nH]ccc12)S(=O)(=O)NC
Show InChI InChI=1S/C14H16N6O2S/c1-15-11-4-3-9(23(21,22)16-2)7-12(11)20-14-10-5-6-17-13(10)18-8-19-14/h3-8,15-16H,1-2H3,(H2,17,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 59: 10629-10641 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01342
BindingDB Entry DOI: 10.7270/Q2V126RT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TNNI3K


(Homo sapiens (Human))
BDBM50118473
PNG
(CHEMBL3613194)
Show SMILES CNc1ccc(cc1Nc1ncnc2[nH]ccc12)S(=O)(=O)NC
Show InChI InChI=1S/C14H16N6O2S/c1-15-11-4-3-9(23(21,22)16-2)7-12(11)20-14-10-5-6-17-13(10)18-8-19-14/h3-8,15-16H,1-2H3,(H2,17,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00931
BindingDB Entry DOI: 10.7270/Q2FT8NV1
More data for this
Ligand-Target Pair