BDBM50352320 CHEMBL1822656

SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1

InChI Key: InChIKey=HIXRSEFUZBICPP-UPVQGACJSA-N

Data: 1 IC50  2 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50352320   

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))	BDBM50352320 (CHEMBL1822656) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-21-6-4-12-37(21)35-28(32-27)41-19-10-8-18(9-11-19)30-26(39)16-36-14-22(38)24(15-36)40-23-7-3-2-5-20(23)29/h2-13,22,24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t22-,24-/m0/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	9	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352320 (CHEMBL1822656) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-21-6-4-12-37(21)35-28(32-27)41-19-10-8-18(9-11-19)30-26(39)16-36-14-22(38)24(15-36)40-23-7-3-2-5-20(23)29/h2-13,22,24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t22-,24-/m0/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	10	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352320 (CHEMBL1822656) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-21-6-4-12-37(21)35-28(32-27)41-19-10-8-18(9-11-19)30-26(39)16-36-14-22(38)24(15-36)40-23-7-3-2-5-20(23)29/h2-13,22,24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t22-,24-/m0/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair