BDBM116803 US8637532, 525

SMILES: COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1

InChI Key: InChIKey=KVVZDQBHKUCWQF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 116803   

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))	BDBM116803 (US8637532, 525) Show SMILES COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C25H20F3N5O3/c1-36-20-9-8-15(11-19(20)25(26,27)28)24(35)33-16-5-2-4-14(10-16)12-30-23-18-7-3-6-17(22(29)34)21(18)31-13-32-23/h2-11,13H,12H2,1H3,(H2,29,34)(H,33,35)(H,30,31,32)	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	100	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
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM116803 (US8637532, 525) Show SMILES COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C25H20F3N5O3/c1-36-20-9-8-15(11-19(20)25(26,27)28)24(35)33-16-5-2-4-14(10-16)12-30-23-18-7-3-6-17(22(29)34)21(18)31-13-32-23/h2-11,13H,12H2,1H3,(H2,29,34)(H,33,35)(H,30,31,32)	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	8.70E+4	n/a	n/a	n/a	n/a	7.5	30
Merck Patent GmbH US Patent					Assay Description The kinase assay is performed as 384-well Flashplate assay (PerkinElmer LAS Germany GmbH). 3.4 nM His6-PDK1(Delta 1-50) (PDK1 that has a His-tag cons...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM116803 (US8637532, 525) Show SMILES COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C25H20F3N5O3/c1-36-20-9-8-15(11-19(20)25(26,27)28)24(35)33-16-5-2-4-14(10-16)12-30-23-18-7-3-6-17(22(29)34)21(18)31-13-32-23/h2-11,13H,12H2,1H3,(H2,29,34)(H,33,35)(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	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))	BDBM116803 (US8637532, 525) Show SMILES COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1 Show InChI InChI=1S/C25H20F3N5O3/c1-36-20-9-8-15(11-19(20)25(26,27)28)24(35)33-16-5-2-4-14(10-16)12-30-23-18-7-3-6-17(22(29)34)21(18)31-13-32-23/h2-11,13H,12H2,1H3,(H2,29,34)(H,33,35)(H,30,31,32)	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	0.120	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