BDBM50435703 CHEMBL2392101

SMILES: Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1

InChI Key: InChIKey=NYFLTGXJAHDIGK-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 = 50435703   

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))	BDBM50435703 (CHEMBL2392101) Show SMILES Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 Show InChI InChI=1S/C20H21ClN8O/c1-12-23-17(21)9-18(24-12)25-16-10-22-28-19(16)20-26-14-3-2-13(8-15(14)27-20)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,26,27)(H,23,24,25)	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Xuzhou Medical College Curated by ChEMBL					Assay Description Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay				Bioorg Med Chem Lett 23: 3523-30 (2013) Article DOI: 10.1016/j.bmcl.2013.04.039 BindingDB Entry DOI: 10.7270/Q26111Q1
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50435703 (CHEMBL2392101) Show SMILES Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 Show InChI InChI=1S/C20H21ClN8O/c1-12-23-17(21)9-18(24-12)25-16-10-22-28-19(16)20-26-14-3-2-13(8-15(14)27-20)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,26,27)(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Xuzhou Medical College Curated by ChEMBL					Assay Description Inhibition of aurora B (unknown origin) by HTRF assay				Bioorg Med Chem Lett 23: 3523-30 (2013) Article DOI: 10.1016/j.bmcl.2013.04.039 BindingDB Entry DOI: 10.7270/Q26111Q1
					More data for this Ligand-Target Pair