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SMILES: CNS(=O)(=O)c1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)n2)c1

InChI Key: InChIKey=KHLURIFJRGMVBJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50245246   
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
Serine/threonine-protein kinase TNNI3K


(Homo sapiens (Human))		BDBM50245246
PNG
(CHEMBL4064225)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)n2)c1
Show InChI InChI=1S/C16H15ClN6O2S/c1-18-26(24,25)14-4-2-3-13(9-14)22-16-20-10-19-15(23-16)21-12-7-5-11(17)6-8-12/h2-10,18H,1H3,(H2,19,20,21,22,23)
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KEGG

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PC sid
UniChem

Similars
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 61: 3076-3088 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00125
BindingDB Entry DOI: 10.7270/Q2Z3221C
More data for this
Ligand-Target Pair