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BDBM50293688 CHEMBL556460::tert-butyl 4-(4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-ylthio)phenylcarbamate

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

InChI Key: InChIKey=VAKWGLDYQAWDPS-UHFFFAOYSA-N

Data: 4 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50293688   
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))
BDBM50293688
PNG
(CHEMBL556460 | tert-butyl 4-(4-(5-methyl-1H-pyrazo...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C23H24N6O2S/c1-14-13-19(29-28-14)26-20-17-7-5-6-8-18(17)25-21(27-20)32-16-11-9-15(10-12-16)24-22(30)31-23(2,3)4/h5-13H,1-4H3,(H,24,30)(H2,25,26,27,28,29)
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Article
PubMed
9n/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))
BDBM50293688
PNG
(CHEMBL556460 | tert-butyl 4-(4-(5-methyl-1H-pyrazo...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C23H24N6O2S/c1-14-13-19(29-28-14)26-20-17-7-5-6-8-18(17)25-21(27-20)32-16-11-9-15(10-12-16)24-22(30)31-23(2,3)4/h5-13H,1-4H3,(H,24,30)(H2,25,26,27,28,29)
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Article
PubMed
250n/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))
BDBM50293688
PNG
(CHEMBL556460 | tert-butyl 4-(4-(5-methyl-1H-pyrazo...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C23H24N6O2S/c1-14-13-19(29-28-14)26-20-17-7-5-6-8-18(17)25-21(27-20)32-16-11-9-15(10-12-16)24-22(30)31-23(2,3)4/h5-13H,1-4H3,(H,24,30)(H2,25,26,27,28,29)
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Article
PubMed
>3.00E+3n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50293688
PNG
(CHEMBL556460 | tert-butyl 4-(4-(5-methyl-1H-pyrazo...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C23H24N6O2S/c1-14-13-19(29-28-14)26-20-17-7-5-6-8-18(17)25-21(27-20)32-16-11-9-15(10-12-16)24-22(30)31-23(2,3)4/h5-13H,1-4H3,(H,24,30)(H2,25,26,27,28,29)
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Article
PubMed
>4.00E+3n/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