BDBM50066148 CHEMBL3403031

SMILES: CN(C(=O)Nc1ccccc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12

InChI Key: InChIKey=NKHGEJCOAAXJED-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 = 50066148   

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))	BDBM50066148 (CHEMBL3403031) Show SMILES CN(C(=O)Nc1ccccc1)c1ccc2[nH]c(cc2n1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C22H18N6O/c1-28(22(29)23-14-7-3-2-4-8-14)20-12-11-17-18(25-20)13-19(24-17)21-15-9-5-6-10-16(15)26-27-21/h2-13,24H,1H3,(H,23,29)(H,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	519	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of human full length Aurora A by HTRF assay				Bioorg Med Chem 23: 1858-68 (2015) Article DOI: 10.1016/j.bmc.2015.02.004 BindingDB Entry DOI: 10.7270/Q26H4K23
					More data for this Ligand-Target Pair