BDBM50379494 CHEMBL2012406

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

InChI Key: InChIKey=KLZCFIRMAFXIKI-ZXFNITATSA-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 = 50379494   

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))	BDBM50379494 (CHEMBL2012406) Show SMILES C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C22H27N7O/c1-13-4-3-5-28(13)21(30)19-9-17(12-27(19)2)25-22-23-10-16-11-24-29(20(16)26-22)18-7-14-6-15(14)8-18/h9-15,18H,3-8H2,1-2H3,(H,23,25,26)/t13-,14-,15+,18-/m1/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))	BDBM50379494 (CHEMBL2012406) Show SMILES C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C22H27N7O/c1-13-4-3-5-28(13)21(30)19-9-17(12-27(19)2)25-22-23-10-16-11-24-29(20(16)26-22)18-7-14-6-15(14)8-18/h9-15,18H,3-8H2,1-2H3,(H,23,25,26)/t13-,14-,15+,18-/m1/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	2	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))	BDBM50379494 (CHEMBL2012406) Show SMILES C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C22H27N7O/c1-13-4-3-5-28(13)21(30)19-9-17(12-27(19)2)25-22-23-10-16-11-24-29(20(16)26-22)18-7-14-6-15(14)8-18/h9-15,18H,3-8H2,1-2H3,(H,23,25,26)/t13-,14-,15+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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