BDBM50381991 CHEMBL2022367

SMILES: CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ncco4)c3)sn2)C1

InChI Key: InChIKey=HSHDMLKUROTFFL-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 = 50381991   

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))	BDBM50381991 (CHEMBL2022367) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ncco4)c3)sn2)C1 Show InChI InChI=1S/C26H30N10O2S/c1-17-4-3-6-34(12-17)15-20-8-24(39-33-20)32-25-26-29-10-21(36(26)13-18(2)31-25)19-9-30-35(14-19)16-22(37)28-11-23-27-5-7-38-23/h5,7-10,13-14,17H,3-4,6,11-12,15-16H2,1-2H3,(H,28,37)(H,31,32)	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	168	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))	BDBM50381991 (CHEMBL2022367) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4ncco4)c3)sn2)C1 Show InChI InChI=1S/C26H30N10O2S/c1-17-4-3-6-34(12-17)15-20-8-24(39-33-20)32-25-26-29-10-21(36(26)13-18(2)31-25)19-9-30-35(14-19)16-22(37)28-11-23-27-5-7-38-23/h5,7-10,13-14,17H,3-4,6,11-12,15-16H2,1-2H3,(H,28,37)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	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