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SMILES: CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=BYUUFRNHCFTPTI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 116506   

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))	BDBM116506 (US8637532, 187) Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H17Cl2N5O/c1-22-8-15(10-5-6-13(19)14(20)7-10)25-18-12-4-2-3-11(17(21)26)16(12)23-9-24-18/h2-7,9,15,22H,8H2,1H3,(H2,21,26)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM116506 (US8637532, 187) Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H17Cl2N5O/c1-22-8-15(10-5-6-13(19)14(20)7-10)25-18-12-4-2-3-11(17(21)26)16(12)23-9-24-18/h2-7,9,15,22H,8H2,1H3,(H2,21,26)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	7.5	25
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair