BDBM116925 US8637532, 652

SMILES: COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1

InChI Key: InChIKey=OVWZZXGBBZJATH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 116925   

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
Ribosomal protein S6 kinase (P70S6K) (Homo sapiens (Human))	BDBM116925 (US8637532, 652) Show SMILES COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1 Show InChI InChI=1S/C27H27N5O5/c1-35-10-11-37-21-13-22(25(28)33)24-23(14-21)26(31-16-30-24)29-15-17-4-3-5-19(12-17)32-27(34)18-6-8-20(36-2)9-7-18/h3-9,12-14,16H,10-11,15H2,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)	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	1.00E+3	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
Aurora kinase B (Homo sapiens (Human))	BDBM116925 (US8637532, 652) Show SMILES COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1 Show InChI InChI=1S/C27H27N5O5/c1-35-10-11-37-21-13-22(25(28)33)24-23(14-21)26(31-16-30-24)29-15-17-4-3-5-19(12-17)32-27(34)18-6-8-20(36-2)9-7-18/h3-9,12-14,16H,10-11,15H2,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	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
Aurora kinase A (Homo sapiens (Human))	BDBM116925 (US8637532, 652) Show SMILES COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1 Show InChI InChI=1S/C27H27N5O5/c1-35-10-11-37-21-13-22(25(28)33)24-23(14-21)26(31-16-30-24)29-15-17-4-3-5-19(12-17)32-27(34)18-6-8-20(36-2)9-7-18/h3-9,12-14,16H,10-11,15H2,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)	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	0.0600	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