BDBM50352203 CHEMBL1825099

SMILES: CN(C)CCN(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1)S(C)(=O)=O

InChI Key: InChIKey=SOXXWGSPFAGLBY-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 = 50352203   

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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50352203 (CHEMBL1825099) Show SMILES CN(C)CCN(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1)S(C)(=O)=O Show InChI InChI=1S/C22H32N8O2S/c1-28(2)12-13-29(33(3,31)32)20-11-10-18(16-23-20)26-22-24-14-17-15-25-30(21(17)27-22)19-8-6-4-5-7-9-19/h10-11,14-16,19H,4-9,12-13H2,1-3H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352203 (CHEMBL1825099) Show SMILES CN(C)CCN(c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1)S(C)(=O)=O Show InChI InChI=1S/C22H32N8O2S/c1-28(2)12-13-29(33(3,31)32)20-11-10-18(16-23-20)26-22-24-14-17-15-25-30(21(17)27-22)19-8-6-4-5-7-9-19/h10-11,14-16,19H,4-9,12-13H2,1-3H3,(H,24,26,27)	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A assessed as phosphorylation of Lats2 substrate at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair