BindingDB PrimarySearch

BDBM50273571 CHEMBL514409::Hesperadin::N-(2-oxo-3-(phenyl(4-(piperidin-1-ylmethyl)phenylamino)methylene)indolin-5-yl)ethanesulfonamide::TCMDC-135395

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

InChI Key: InChIKey=SGZZQKMOFHIDKW-UHFFFAOYSA-N

Data: 6 IC50 11 Kd

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50273571
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aurora kinase B (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Aurora-B immunoprecipitated from mitotic cells				J Med Chem 49: 955-70 (2006) Article DOI: 10.1021/jm050786h BindingDB Entry DOI: 10.7270/Q24J0FXV
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay 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...				Bioorg Med Chem 25: 2609-2616 (2017) BindingDB Entry DOI: 10.7270/Q2833VFF
The University of Texas at Austin Curated by ChEMBL					More data for this Ligand-Target Pair
Leukocyte tyrosine kinase receptor (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human LTK				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human ROS				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human FAK				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human PYK2				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human TYK2				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5 (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human MSK1				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 4 (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human MSK2				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human AMPKA1				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
BR serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human BRSK2				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
p21-Activated kinase 2 (PAK2) (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human PAK2				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fes/Fps (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human FES				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2 (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human Aurora kinase A/TPX2 complex using gamma-[32P]ATP incubated for 1 hr by autoradiography				J Med Chem 55: 7841-8 (2012) Article DOI: 10.1021/jm3008954 BindingDB Entry DOI: 10.7270/Q2DV1M0S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B-A (Xenopus laevis)	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Xenopus laevis Aurora kinase B/INCEP complex using gamma-[32P]ATP incubated for 1 hr by autoradiography				J Med Chem 55: 7841-8 (2012) Article DOI: 10.1021/jm3008954 BindingDB Entry DOI: 10.7270/Q2DV1M0S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50273571 (CHEMBL514409 \| Hesperadin \| N-(2-oxo-3-(phenyl(4-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human Aurora kinase B/INCEP complex expressed in Escherichia coli BL21 (DE3) using gamma-[32P]ATP incubated for 1 hr by autoradiography				J Med Chem 55: 7841-8 (2012) Article DOI: 10.1021/jm3008954 BindingDB Entry DOI: 10.7270/Q2DV1M0S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair