BDBM50348631 CHEMBL1801109

SMILES: CS(=O)(=O)N1CCC(CC1)c1cc(Nc2nccn3c(cnc23)-c2cn[nH]c2)sn1

InChI Key: InChIKey=DEYRVWAAPWPOND-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 = 50348631   

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))	BDBM50348631 (CHEMBL1801109) Show SMILES CS(=O)(=O)N1CCC(CC1)c1cc(Nc2nccn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C18H20N8O2S2/c1-30(27,28)25-5-2-12(3-6-25)14-8-16(29-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h4,7-12H,2-3,5-6H2,1H3,(H,19,23)(H,21,22)	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	6	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))	BDBM50348631 (CHEMBL1801109) Show SMILES CS(=O)(=O)N1CCC(CC1)c1cc(Nc2nccn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C18H20N8O2S2/c1-30(27,28)25-5-2-12(3-6-25)14-8-16(29-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h4,7-12H,2-3,5-6H2,1H3,(H,19,23)(H,21,22)	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	18	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