BDBM224350 US10080750, Compound 27::US9321760, 27::US9662330, Compound 27

SMILES: Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1

InChI Key: InChIKey=XVXGWZNJKSPVAQ-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 = 224350   

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))	BDBM224350 (US10080750, Compound 27 | US9321760, 27 | US966233...) Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1 Show InChI InChI=1S/C26H28F4N6/c27-21-8-4-19(5-9-21)23-24(31)32-17-33-25(23)36-14-12-35(13-15-36)22(16-34-10-1-11-34)18-2-6-20(7-3-18)26(28,29)30/h2-9,17,22H,1,10-16H2,(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US9321760 (2016) BindingDB Entry DOI: 10.7270/Q2R78D2R
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K) (Homo sapiens (Human))	BDBM224350 (US10080750, Compound 27 | US9321760, 27 | US966233...) Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1 Show InChI InChI=1S/C26H28F4N6/c27-21-8-4-19(5-9-21)23-24(31)32-17-33-25(23)36-14-12-35(13-15-36)22(16-34-10-1-11-34)18-2-6-20(7-3-18)26(28,29)30/h2-9,17,22H,1,10-16H2,(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US9662330 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G04
					More data for this Ligand-Target Pair
P70S6K (T412E) (Homo sapiens (Human))	BDBM224350 (US10080750, Compound 27 | US9321760, 27 | US966233...) Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1 Show InChI InChI=1S/C26H28F4N6/c27-21-8-4-19(5-9-21)23-24(31)32-17-33-25(23)36-14-12-35(13-15-36)22(16-34-10-1-11-34)18-2-6-20(7-3-18)26(28,29)30/h2-9,17,22H,1,10-16H2,(H2,31,32,33)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair