BDBM50352301 CHEMBL1822488

SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)[nH]n1

InChI Key: InChIKey=QFOMGFNHXREHSV-UHFFFAOYSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 50352301   

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))	BDBM50352301 (CHEMBL1822488) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)[nH]n1 Show InChI InChI=1S/C26H29N9O2S/c1-16-12-22(32-31-16)29-24-21-13-19(27-23(36)15-34-10-2-3-11-34)14-35(21)33-26(30-24)38-20-8-6-18(7-9-20)28-25(37)17-4-5-17/h6-9,12-14,17H,2-5,10-11,15H2,1H3,(H,27,36)(H,28,37)(H2,29,30,31,32,33)	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	49	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
Serine/threonine-protein kinase Aurora-C (Homo sapiens (Human))	BDBM50352301 (CHEMBL1822488) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)[nH]n1 Show InChI InChI=1S/C26H29N9O2S/c1-16-12-22(32-31-16)29-24-21-13-19(27-23(36)15-34-10-2-3-11-34)14-35(21)33-26(30-24)38-20-8-6-18(7-9-20)28-25(37)17-4-5-17/h6-9,12-14,17H,2-5,10-11,15H2,1H3,(H,27,36)(H,28,37)(H2,29,30,31,32,33)	PDB NCI pathway KEGG UniProtKB/SwissProt 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 Binding affinity to Aurora C 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))	BDBM50352301 (CHEMBL1822488) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)[nH]n1 Show InChI InChI=1S/C26H29N9O2S/c1-16-12-22(32-31-16)29-24-21-13-19(27-23(36)15-34-10-2-3-11-34)14-35(21)33-26(30-24)38-20-8-6-18(7-9-20)28-25(37)17-4-5-17/h6-9,12-14,17H,2-5,10-11,15H2,1H3,(H,27,36)(H,28,37)(H2,29,30,31,32,33)	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	23	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))	BDBM50352301 (CHEMBL1822488) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)[nH]n1 Show InChI InChI=1S/C26H29N9O2S/c1-16-12-22(32-31-16)29-24-21-13-19(27-23(36)15-34-10-2-3-11-34)14-35(21)33-26(30-24)38-20-8-6-18(7-9-20)28-25(37)17-4-5-17/h6-9,12-14,17H,2-5,10-11,15H2,1H3,(H,27,36)(H,28,37)(H2,29,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	828	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