null

SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCCN4CCOCC4)cc3)nn3cccc23)n[nH]1

InChI Key: InChIKey=CJSJFNXXOCNUIQ-HSZRJFAPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50394795   

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))	BDBM50394795 (CHEMBL2163411) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C29H37N9O3S/c1-21-18-26(34-33-21)31-28-25-4-2-11-38(25)35-29(32-28)42-24-7-5-22(6-8-24)30-27(39)20-37-12-9-23(19-37)41-15-3-10-36-13-16-40-17-14-36/h2,4-8,11,18,23H,3,9-10,12-17,19-20H2,1H3,(H,30,39)(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	27	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))	BDBM50394795 (CHEMBL2163411) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C29H37N9O3S/c1-21-18-26(34-33-21)31-28-25-4-2-11-38(25)35-29(32-28)42-24-7-5-22(6-8-24)30-27(39)20-37-12-9-23(19-37)41-15-3-10-36-13-16-40-17-14-36/h2,4-8,11,18,23H,3,9-10,12-17,19-20H2,1H3,(H,30,39)(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	5.10	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))	BDBM50394795 (CHEMBL2163411) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCCN4CCOCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C29H37N9O3S/c1-21-18-26(34-33-21)31-28-25-4-2-11-38(25)35-29(32-28)42-24-7-5-22(6-8-24)30-27(39)20-37-12-9-23(19-37)41-15-3-10-36-13-16-40-17-14-36/h2,4-8,11,18,23H,3,9-10,12-17,19-20H2,1H3,(H,30,39)(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	3.70	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