BDBM50379504 CHEMBL2012308

SMILES: CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc12

InChI Key: InChIKey=GIYOYGQGQYMCFG-UHFFFAOYSA-N

Data: 3 IC50

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 = 50379504   

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))	BDBM50379504 (CHEMBL2012308) Show SMILES CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc12 Show InChI InChI=1S/C14H17N7O/c1-8(2)21-13-9(6-17-21)5-16-14(19-13)18-10-4-11(12(15)22)20(3)7-10/h4-8H,1-3H3,(H2,15,22)(H,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379504 (CHEMBL2012308) Show SMILES CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc12 Show InChI InChI=1S/C14H17N7O/c1-8(2)21-13-9(6-17-21)5-16-14(19-13)18-10-4-11(12(15)22)20(3)7-10/h4-8H,1-3H3,(H2,15,22)(H,16,18,19)	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379504 (CHEMBL2012308) Show SMILES CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc12 Show InChI InChI=1S/C14H17N7O/c1-8(2)21-13-9(6-17-21)5-16-14(19-13)18-10-4-11(12(15)22)20(3)7-10/h4-8H,1-3H3,(H2,15,22)(H,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair