BDBM50327920 3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-thieno[3,2-c]pyrazole-5-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide::CHEMBL1258230

SMILES: CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC1CCCc2ccccc12

InChI Key: InChIKey=VVVVEPWMNMVUNM-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 = 50327920   

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))	BDBM50327920 (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC1CCCc2ccccc12 Show InChI InChI=1S/C28H30N6O2S/c1-33-13-15-34(16-14-33)20-11-9-19(10-12-20)27(35)30-26-25-23(31-32-26)17-24(37-25)28(36)29-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-12,17,22H,4,6,8,13-16H2,1H3,(H,29,36)(H2,30,31,32,35)	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
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