BDBM50443498 CHEMBL3087772

SMILES: Cn1cc(cn1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNS(C)(=O)=O)c1

InChI Key: InChIKey=QQOUQSHLYUUNAH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50443498   

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))	BDBM50443498 (CHEMBL3087772) Show SMILES Cn1cc(cn1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C19H18ClN5O2S/c1-25-11-14(9-22-25)18-17(16-7-15(20)10-21-19(16)24-18)13-5-3-4-12(6-13)8-23-28(2,26)27/h3-7,9-11,23H,8H2,1-2H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	441	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length aurora-B (unknown origin) using 5FAMLRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50443498 (CHEMBL3087772) Show SMILES Cn1cc(cn1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C19H18ClN5O2S/c1-25-11-14(9-22-25)18-17(16-7-15(20)10-21-19(16)24-18)13-5-3-4-12(6-13)8-23-28(2,26)27/h3-7,9-11,23H,8H2,1-2H3,(H,21,24)	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	211	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair