null

SMILES: CN1CCN(CCO[C@@H]2CCN(CC(=O)Nc3ccc(Sc4nc(Nc5cc(C)[nH]n5)c5cccn5n4)cc3)C2)CC1

InChI Key: InChIKey=UMXZZNNMKDFYAG-HSZRJFAPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50394796   

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 (Homo sapiens (Human))	BDBM50394796 (CHEMBL2163410) Show SMILES CN1CCN(CCO[C@@H]2CCN(CC(=O)Nc3ccc(Sc4nc(Nc5cc(C)[nH]n5)c5cccn5n4)cc3)C2)CC1 |r| Show InChI InChI=1S/C29H38N10O2S/c1-21-18-26(34-33-21)31-28-25-4-3-10-39(25)35-29(32-28)42-24-7-5-22(6-8-24)30-27(40)20-38-11-9-23(19-38)41-17-16-37-14-12-36(2)13-15-37/h3-8,10,18,23H,9,11-17,19-20H2,1-2H3,(H,30,40)(H2,31,32,33,34,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50394796 (CHEMBL2163410) Show SMILES CN1CCN(CCO[C@@H]2CCN(CC(=O)Nc3ccc(Sc4nc(Nc5cc(C)[nH]n5)c5cccn5n4)cc3)C2)CC1 |r| Show InChI InChI=1S/C29H38N10O2S/c1-21-18-26(34-33-21)31-28-25-4-3-10-39(25)35-29(32-28)42-24-7-5-22(6-8-24)30-27(40)20-38-11-9-23(19-38)41-17-16-37-14-12-36(2)13-15-37/h3-8,10,18,23H,9,11-17,19-20H2,1-2H3,(H,30,40)(H2,31,32,33,34,35)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50394796 (CHEMBL2163410) Show SMILES CN1CCN(CCO[C@@H]2CCN(CC(=O)Nc3ccc(Sc4nc(Nc5cc(C)[nH]n5)c5cccn5n4)cc3)C2)CC1 |r| Show InChI InChI=1S/C29H38N10O2S/c1-21-18-26(34-33-21)31-28-25-4-3-10-39(25)35-29(32-28)42-24-7-5-22(6-8-24)30-27(40)20-38-11-9-23(19-38)41-17-16-37-14-12-36(2)13-15-37/h3-8,10,18,23H,9,11-17,19-20H2,1-2H3,(H,30,40)(H2,31,32,33,34,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora kinase B catalytic domain by competition binding assay				J Med Chem 55: 3250-60 (2012) Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F
					More data for this Ligand-Target Pair