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BDBM50293687 CHEMBL552033::N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-ylthio)phenyl)methanesulfonamide

SMILES: Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1

InChI Key: InChIKey=XUAORJVHYWCADO-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50293687   
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))
BDBM50293687
PNG
(CHEMBL552033 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C19H18N6O2S2/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)28-14-9-7-13(8-10-14)25-29(2,26)27/h3-11,25H,1-2H3,(H2,20,21,22,23,24)
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Article
PubMed
2n/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
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50293687
PNG
(CHEMBL552033 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C19H18N6O2S2/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)28-14-9-7-13(8-10-14)25-29(2,26)27/h3-11,25H,1-2H3,(H2,20,21,22,23,24)
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Article
PubMed
67n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


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))
BDBM50293687
PNG
(CHEMBL552033 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C19H18N6O2S2/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)28-14-9-7-13(8-10-14)25-29(2,26)27/h3-11,25H,1-2H3,(H2,20,21,22,23,24)
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PubMed
230n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50293687
PNG
(CHEMBL552033 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C19H18N6O2S2/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)28-14-9-7-13(8-10-14)25-29(2,26)27/h3-11,25H,1-2H3,(H2,20,21,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
681n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Src


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