null

SMILES CCS(=O)(=O)Nc1ccc2NC(=O)C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1

InChI Key InChIKey=SGZZQKMOFHIDKW-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50273571   

TargetAurora kinase B(Homo sapiens (Human))
Centre de Recherches

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataIC50: 250nMAssay Description:Inhibition of Aurora-B immunoprecipitated from mitotic cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0FXVPubMed
TargetAurora kinase B(Homo sapiens (Human))
Centre de Recherches

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataIC50: 250nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24Q801KPubMed
TargetLeukocyte tyrosine kinase receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  52nMAssay Description:Binding affinity to human LTKMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  77nMAssay Description:Binding affinity to human ROSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetFocal adhesion kinase 1(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  33nMAssay Description:Binding affinity to human FAKMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetProtein-tyrosine kinase 2-beta(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  10nMAssay Description:Binding affinity to human PYK2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  75nMAssay Description:Binding affinity to human TYK2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetRibosomal protein S6 kinase alpha-5(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  31nMAssay Description:Binding affinity to human MSK1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetRibosomal protein S6 kinase alpha-4(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  94nMAssay Description:Binding affinity to human MSK2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
Target5'-AMP-activated protein kinase catalytic subunit alpha-1(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  19nMAssay Description:Binding affinity to human AMPKA1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetSerine/threonine-protein kinase BRSK2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  92nMAssay Description:Binding affinity to human BRSK2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetSerine/threonine-protein kinase PAK 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  1.40E+4nMAssay Description:Binding affinity to human PAK2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetTyrosine-protein kinase Fes/Fps(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataKd:  149nMAssay Description:Binding affinity to human FESMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetAurora kinase A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of human Aurora kinase A/TPX2 complex using gamma-[32P]ATP incubated for 1 hr by autoradiographyMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DV1M0SPubMed
TargetAurora kinase B-A(Xenopus laevis)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of Xenopus laevis Aurora kinase B/INCEP complex using gamma-[32P]ATP incubated for 1 hr by autoradiographyMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Centre de Recherches

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataIC50: 250nMAssay Description:Inhibition of aurora B kinaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85920PubMed
TargetMaternal embryonic leucine zipper kinase(Homo sapiens (Human))
The University of Texas at Austin

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataIC50: 225nMAssay Description:Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2833VFFPubMed
TargetAurora kinase B(Homo sapiens (Human))
Centre de Recherches

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataIC50: 250nMAssay Description:Inhibition of recombinant human full-length His-tagged Aurora B expressed in baculovirus expression system using 5-FAM-LRRASLG-CONH2 as substrate pre...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1PB3PubMed
TargetAurora kinase B(Homo sapiens (Human))
Centre de Recherches

Curated by ChEMBL
LigandPNGBDBM50273571(CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of human Aurora kinase B/INCEP complex expressed in Escherichia coli BL21 (DE3) using gamma-[32P]ATP incubated for 1 hr by autoradiographyMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DV1M0SPubMed