BDBM50335183 CHEMBL1650540::N-[3-[(3,3-Difluoro-1-piperidinyl)methyl]-5-isothiazolyl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine Hydrochloride

SMILES: Cc1cn2c(cnc2c(Nc2cc(CN3CCCC(F)(F)C3)ns2)n1)-c1cn[nH]c1

InChI Key: InChIKey=HECCNHYZTOZRLV-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 = 50335183   

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 B (Homo sapiens (Human))	BDBM50335183 (CHEMBL1650540 | N-[3-[(3,3-Difluoro-1-piperidinyl)...) Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H20F2N8S/c1-12-9-29-15(13-6-23-24-7-13)8-22-18(29)17(25-12)26-16-5-14(27-30-16)10-28-4-2-3-19(20,21)11-28/h5-9H,2-4,10-11H2,1H3,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay				J Med Chem 54: 201-10 (2011) Article DOI: 10.1021/jm1010995 BindingDB Entry DOI: 10.7270/Q2VM4D76
					More data for this Ligand-Target Pair