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SMILES: COc1ccc(cc1OC)C(CN)Nc1ncnc2c(cccc12)C(N)=O

InChI Key: InChIKey=SGZFLJKVODZGJM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 116440   

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))	BDBM116440 (US8637532, 121) Show SMILES COc1ccc(cc1OC)C(CN)Nc1ncnc2c(cccc12)C(N)=O Show InChI InChI=1S/C19H21N5O3/c1-26-15-7-6-11(8-16(15)27-2)14(9-20)24-19-13-5-3-4-12(18(21)25)17(13)22-10-23-19/h3-8,10,14H,9,20H2,1-2H3,(H2,21,25)(H,22,23,24)	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	4.90E+3	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))	BDBM116440 (US8637532, 121) Show SMILES COc1ccc(cc1OC)C(CN)Nc1ncnc2c(cccc12)C(N)=O Show InChI InChI=1S/C19H21N5O3/c1-26-15-7-6-11(8-16(15)27-2)14(9-20)24-19-13-5-3-4-12(18(21)25)17(13)22-10-23-19/h3-8,10,14H,9,20H2,1-2H3,(H2,21,25)(H,22,23,24)	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	0.5	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