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SMILES: CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)C(C)C)ncn2)c1

InChI Key: InChIKey=YZKRTLLFUBQEHG-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 2 hits for monomerid = 50245261   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50245261
PNG
(CHEMBL4084208)
Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)C(C)C)ncn2)c1
Show InChI InChI=1S/C20H23N5O2S/c1-14(2)15-6-4-7-16(10-15)24-19-12-20(23-13-22-19)25-17-8-5-9-18(11-17)28(26,27)21-3/h4-14,21H,1-3H3,(H2,22,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on Saccharomyces cerevisiae ribonucleotide reductase


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
Serine/threonine-protein kinase TNNI3K


(Homo sapiens (Human))
BDBM50245261
PNG
(CHEMBL4084208)
Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)C(C)C)ncn2)c1
Show InChI InChI=1S/C20H23N5O2S/c1-14(2)15-6-4-7-16(10-15)24-19-12-20(23-13-22-19)25-17-8-5-9-18(11-17)28(26,27)21-3/h4-14,21H,1-3H3,(H2,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
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