BDBM50382025 CHEMBL2022117

SMILES: CN(C)C(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12

InChI Key: InChIKey=HWDIFDRAZONKOD-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 = 50382025   

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))	BDBM50382025 (CHEMBL2022117) Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12 Show InChI InChI=1S/C23H29N9OS/c1-16-12-32-19(17-10-25-31(13-17)15-21(33)29(2)3)11-24-23(32)22(26-16)27-20-9-18(28-34-20)14-30-7-5-4-6-8-30/h9-13H,4-8,14-15H2,1-3H3,(H,26,27)	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	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50382025 (CHEMBL2022117) Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1cnc2c(Nc3cc(CN4CCCCC4)ns3)nc(C)cn12 Show InChI InChI=1S/C23H29N9OS/c1-16-12-32-19(17-10-25-31(13-17)15-21(33)29(2)3)11-24-23(32)22(26-16)27-20-9-18(28-34-20)14-30-7-5-4-6-8-30/h9-13H,4-8,14-15H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair