BDBM50327918 3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-thieno[3,2-c]pyrazole-5-carboxylic acid benzhydryl-amide::CHEMBL1257884

SMILES: CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=VQIGSXZPOJLZGU-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 = 50327918   

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))	BDBM50327918 (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H30N6O2S/c1-36-16-18-37(19-17-36)24-14-12-23(13-15-24)30(38)33-29-28-25(34-35-29)20-26(40-28)31(39)32-27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,27H,16-19H2,1H3,(H,32,39)(H2,33,34,35,38)	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	48	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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