BDBM116647 US8637532, 347

SMILES: CNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1

InChI Key: InChIKey=MPLYXIRRQBHUMZ-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 = 116647   

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))	BDBM116647 (US8637532, 347) Show SMILES CNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C23H21N7O2/c1-25-19-11-15(8-9-26-19)23(32)30-16-5-2-4-14(10-16)12-27-22-18-7-3-6-17(21(24)31)20(18)28-13-29-22/h2-11,13H,12H2,1H3,(H2,24,31)(H,25,26)(H,30,32)(H,27,28,29)	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	0.150	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 (P70S6K) (Homo sapiens (Human))	BDBM116647 (US8637532, 347) Show SMILES CNc1cc(ccn1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C23H21N7O2/c1-25-19-11-15(8-9-26-19)23(32)30-16-5-2-4-14(10-16)12-27-22-18-7-3-6-17(21(24)31)20(18)28-13-29-22/h2-11,13H,12H2,1H3,(H2,24,31)(H,25,26)(H,30,32)(H,27,28,29)	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	19	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