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BDBM50293691 CHEMBL549469::N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylthio)phenyl)acetamide

SMILES: CC(=O)Nc1ccc(Sc2nccc(Nc3cc(C)n[nH]3)n2)cc1

InChI Key: InChIKey=BGNRYQCGVJJPRI-UHFFFAOYSA-N

Data: 2 KI

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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 = 50293691   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50293691
PNG
(CHEMBL549469 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CC(=O)Nc1ccc(Sc2nccc(Nc3cc(C)n[nH]3)n2)cc1
Show InChI InChI=1S/C16H16N6OS/c1-10-9-15(22-21-10)19-14-7-8-17-16(20-14)24-13-5-3-12(4-6-13)18-11(2)23/h3-9H,1-2H3,(H,18,23)(H2,17,19,20,21,22)
PDB
MMDB

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KEGG

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PC cid
PC sid
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Patents

Article
PubMed
86n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A by coupled assay


Bioorg Med Chem Lett 19: 3586-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50293691
PNG
(CHEMBL549469 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CC(=O)Nc1ccc(Sc2nccc(Nc3cc(C)n[nH]3)n2)cc1
Show InChI InChI=1S/C16H16N6OS/c1-10-9-15(22-21-10)19-14-7-8-17-16(20-14)24-13-5-3-12(4-6-13)18-11(2)23/h3-9H,1-2H3,(H,18,23)(H2,17,19,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
207n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B


Bioorg Med Chem Lett 19: 3586-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair