BDBM50433644 CHEMBL2380848

SMILES: O=C(Nc1ncc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1

InChI Key: InChIKey=YQONVVWDOUUEGH-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 = 50433644   

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))	BDBM50433644 (CHEMBL2380848) Show SMILES O=C(Nc1ncc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1 Show InChI InChI=1S/C23H16N6O2/c30-21(14-6-2-1-3-7-14)29-23-25-12-15(13-26-23)27-18-10-11-24-20-19(18)16-8-4-5-9-17(16)22(31)28-20/h1-13H,(H2,24,27,28,31)(H,25,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of aurora-B (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50433644 (CHEMBL2380848) Show SMILES O=C(Nc1ncc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1 Show InChI InChI=1S/C23H16N6O2/c30-21(14-6-2-1-3-7-14)29-23-25-12-15(13-26-23)27-18-10-11-24-20-19(18)16-8-4-5-9-17(16)22(31)28-20/h1-13H,(H2,24,27,28,31)(H,25,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of aurora-A (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair