BDBM50348635 CHEMBL1801114

SMILES: Cc1cc(Nc2nc(CCN)cn3c(cnc23)-c2cn[nH]c2)sn1

InChI Key: InChIKey=XQFHODAQACCOEF-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 = 50348635   

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))	BDBM50348635 (CHEMBL1801114) Show SMILES Cc1cc(Nc2nc(CCN)cn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C15H16N8S/c1-9-4-13(24-22-9)21-14-15-17-7-12(10-5-18-19-6-10)23(15)8-11(20-14)2-3-16/h4-8H,2-3,16H2,1H3,(H,18,19)(H,20,21)	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	83	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 20: 5170-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.008 BindingDB Entry DOI: 10.7270/Q2Q81DGH
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50348635 (CHEMBL1801114) Show SMILES Cc1cc(Nc2nc(CCN)cn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C15H16N8S/c1-9-4-13(24-22-9)21-14-15-17-7-12(10-5-18-19-6-10)23(15)8-11(20-14)2-3-16/h4-8H,2-3,16H2,1H3,(H,18,19)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 20: 5170-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.008 BindingDB Entry DOI: 10.7270/Q2Q81DGH
					More data for this Ligand-Target Pair