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BDBM50197801 CHEMBL3964772

SMILES: CNS(=O)(=O)c1ccc(OC)c(Nc2ncnc3[nH]ccc23)c1

InChI Key: InChIKey=MQBIRDBWRHYSNI-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50197801   
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
TNNI3K


(Homo sapiens (Human))
BDBM50197801
PNG
(CHEMBL3964772)
Show SMILES CNS(=O)(=O)c1ccc(OC)c(Nc2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C14H15N5O3S/c1-15-23(20,21)9-3-4-12(22-2)11(7-9)19-14-10-5-6-16-13(10)17-8-18-14/h3-8,15H,1-2H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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