BDBM50352312 CHEMBL1822494

SMILES: CN(C)CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3cccn3n2)cc1

InChI Key: InChIKey=GFWYLCYLWSMJSC-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 = 50352312   

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))	BDBM50352312 (CHEMBL1822494) Show SMILES CN(C)CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3cccn3n2)cc1 Show InChI InChI=1S/C20H22N8OS/c1-13-11-17(25-24-13)22-19-16-5-4-10-28(16)26-20(23-19)30-15-8-6-14(7-9-15)21-18(29)12-27(2)3/h4-11H,12H2,1-3H3,(H,21,29)(H2,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	293	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
Aurora kinase A (Homo sapiens (Human))	BDBM50352312 (CHEMBL1822494) Show SMILES CN(C)CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3cccn3n2)cc1 Show InChI InChI=1S/C20H22N8OS/c1-13-11-17(25-24-13)22-19-16-5-4-10-28(16)26-20(23-19)30-15-8-6-14(7-9-15)21-18(29)12-27(2)3/h4-11H,12H2,1-3H3,(H,21,29)(H2,22,23,24,25,26)	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	31	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
Serine/threonine-protein kinase Aurora-C (Homo sapiens (Human))	BDBM50352312 (CHEMBL1822494) Show SMILES CN(C)CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3cccn3n2)cc1 Show InChI InChI=1S/C20H22N8OS/c1-13-11-17(25-24-13)22-19-16-5-4-10-28(16)26-20(23-19)30-15-8-6-14(7-9-15)21-18(29)12-27(2)3/h4-11H,12H2,1-3H3,(H,21,29)(H2,22,23,24,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5	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 B (Homo sapiens (Human))	BDBM50352312 (CHEMBL1822494) Show SMILES CN(C)CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3cccn3n2)cc1 Show InChI InChI=1S/C20H22N8OS/c1-13-11-17(25-24-13)22-19-16-5-4-10-28(16)26-20(23-19)30-15-8-6-14(7-9-15)21-18(29)12-27(2)3/h4-11H,12H2,1-3H3,(H,21,29)(H2,22,23,24,25,26)	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	8	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