BDBM50435704 CHEMBL2392107

SMILES: Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

InChI Key: InChIKey=ZNDYJPWTJIVRSD-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50435704   

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))	BDBM50435704 (CHEMBL2392107) Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C25H21ClN8OS/c1-13-2-9-17-18(10-13)31-23(30-17)22-19(12-27-34-22)29-21-11-20(26)32-25(33-21)36-16-7-5-15(6-8-16)28-24(35)14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,27,34)(H,28,35)(H,30,31)(H,29,32,33)	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	1.13E+3	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