BDBM50348636 CHEMBL1801115

SMILES: Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)sn1

InChI Key: InChIKey=QHNJBHCDCYTMNB-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 = 50348636   

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))	BDBM50348636 (CHEMBL1801115) Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)sn1 Show InChI InChI=1S/C16H15N7S/c1-9-4-14(24-22-9)21-15-16-17-7-13(11-5-18-19-6-11)23(16)8-12(20-15)10-2-3-10/h4-8,10H,2-3H2,1H3,(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 Patents Similars	Article PubMed	n/a	n/a	17	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))	BDBM50348636 (CHEMBL1801115) Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)sn1 Show InChI InChI=1S/C16H15N7S/c1-9-4-14(24-22-9)21-15-16-17-7-13(11-5-18-19-6-11)23(16)8-12(20-15)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,18,19)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	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