BDBM50004230 CHEMBL3237166

SMILES: CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C#N)n1

InChI Key: InChIKey=KGYVTIPESOORDH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50004230   

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))	BDBM50004230 (CHEMBL3237166) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C20H23N9/c1-14-11-18(27-26-14)23-17-12-19(29-9-7-28(2)8-10-29)25-20(24-17)22-16-5-3-15(13-21)4-6-16/h3-6,11-12H,7-10H2,1-2H3,(H3,22,23,24,25,26,27)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				Eur J Med Chem 78: 65-71 (2014) Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP
					More data for this Ligand-Target Pair