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SMILES: CNS(=O)(=O)c1cccc(Nc2ccnc(Nc3cccc(C)c3)n2)c1

InChI Key: InChIKey=ZTKJAFSUGRTZES-UHFFFAOYSA-N

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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 = 50245314   
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))		BDBM50245314
PNG
(CHEMBL4077229)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ccnc(Nc3cccc(C)c3)n2)c1
Show InChI InChI=1S/C18H19N5O2S/c1-13-5-3-6-14(11-13)22-18-20-10-9-17(23-18)21-15-7-4-8-16(12-15)26(24,25)19-2/h3-12,19H,1-2H3,(H2,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 8-20

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