BDBM50382031 CHEMBL2022366

SMILES: CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccncc4)c3)sn2)C1

InChI Key: InChIKey=VJOYYECZKLYWBV-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 = 50382031   

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))	BDBM50382031 (CHEMBL2022366) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C28H32N10OS/c1-19-4-3-9-36(14-19)17-23-10-26(40-35-23)34-27-28-31-13-24(38(28)15-20(2)33-27)22-12-32-37(16-22)18-25(39)30-11-21-5-7-29-8-6-21/h5-8,10,12-13,15-16,19H,3-4,9,11,14,17-18H2,1-2H3,(H,30,39)(H,33,34)	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	2.45E+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))	BDBM50382031 (CHEMBL2022366) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C28H32N10OS/c1-19-4-3-9-36(14-19)17-23-10-26(40-35-23)34-27-28-31-13-24(38(28)15-20(2)33-27)22-12-32-37(16-22)18-25(39)30-11-21-5-7-29-8-6-21/h5-8,10,12-13,15-16,19H,3-4,9,11,14,17-18H2,1-2H3,(H,30,39)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+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