null
SMILES: CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)-c3nnn[nH]3)c2)C(=O)N1C
InChI Key: InChIKey=WWPZBBQLQAEXGE-ZMSDRGEISA-N
PDB links: 1 PDB ID matches this monomer.
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aurora kinase B/Inner centromere protein (Homo sapiens (Human)) | BDBM50198044 (CHEMBL3903187) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne Curated by ChEMBL | Assay Description Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay | J Med Chem 59: 7188-211 (2016) Article DOI: 10.1021/acs.jmedchem.6b00709 BindingDB Entry DOI: 10.7270/Q2JM2CM5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50198044 (CHEMBL3903187) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Berne Curated by ChEMBL | Assay Description Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su... | J Med Chem 59: 7188-211 (2016) Article DOI: 10.1021/acs.jmedchem.6b00709 BindingDB Entry DOI: 10.7270/Q2JM2CM5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |