BDBM50379493 CHEMBL2012404

SMILES: CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C

InChI Key: InChIKey=ZZFGCFQOWNBGHP-QXGSTGNESA-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 = 50379493   

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))	BDBM50379493 (CHEMBL2012404) Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C24H30N8O2/c1-29(2)22(33)19-5-4-6-31(19)23(34)20-10-17(13-30(20)3)27-24-25-11-16-12-26-32(21(16)28-24)18-8-14-7-15(14)9-18/h10-15,18-19H,4-9H2,1-3H3,(H,25,27,28)/t14-,15+,18-,19-/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	4	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))	BDBM50379493 (CHEMBL2012404) Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C24H30N8O2/c1-29(2)22(33)19-5-4-6-31(19)23(34)20-10-17(13-30(20)3)27-24-25-11-16-12-26-32(21(16)28-24)18-8-14-7-15(14)9-18/h10-15,18-19H,4-9H2,1-3H3,(H,25,27,28)/t14-,15+,18-,19-/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	19	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))	BDBM50379493 (CHEMBL2012404) Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C24H30N8O2/c1-29(2)22(33)19-5-4-6-31(19)23(34)20-10-17(13-30(20)3)27-24-25-11-16-12-26-32(21(16)28-24)18-8-14-7-15(14)9-18/h10-15,18-19H,4-9H2,1-3H3,(H,25,27,28)/t14-,15+,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	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