BDBM50389261 CHEMBL2063461

SMILES: Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccn4ncnc(N)c34)c2)cc1

InChI Key: InChIKey=OBNJJMRMHFJKPW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50389261   

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 A (Homo sapiens (Human))	BDBM50389261 (CHEMBL2063461) Show SMILES Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccn4ncnc(N)c34)c2)cc1 Show InChI InChI=1S/C22H21N7O2/c1-14-5-7-16(8-6-14)28-22(31)24-12-15-3-2-4-17(11-15)27-21(30)18-9-10-29-19(18)20(23)25-13-26-29/h2-11,13H,12H2,1H3,(H,27,30)(H2,23,25,26)(H2,24,28,31)	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	46	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4528-31 (2012) Article DOI: 10.1016/j.bmcl.2012.05.125 BindingDB Entry DOI: 10.7270/Q2T154RT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50389261 (CHEMBL2063461) Show SMILES Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccn4ncnc(N)c34)c2)cc1 Show InChI InChI=1S/C22H21N7O2/c1-14-5-7-16(8-6-14)28-22(31)24-12-15-3-2-4-17(11-15)27-21(30)18-9-10-29-19(18)20(23)25-13-26-29/h2-11,13H,12H2,1H3,(H,27,30)(H2,23,25,26)(H2,24,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4528-31 (2012) Article DOI: 10.1016/j.bmcl.2012.05.125 BindingDB Entry DOI: 10.7270/Q2T154RT
					More data for this Ligand-Target Pair