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SMILES: CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3)ncn2)c1

InChI Key: InChIKey=JBHYJRXQYXDRRY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50245269   
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))		BDBM50245269
PNG
(CHEMBL4067114)
Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3)ncn2)c1
Show InChI InChI=1S/C17H17N5O2S/c1-18-25(23,24)15-9-5-8-14(10-15)22-17-11-16(19-12-20-17)21-13-6-3-2-4-7-13/h2-12,18H,1H3,(H2,19,20,21,22)
PDB

KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 63n/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