BDBM224525 US10080750, Compound 203::US9321760, 203::US9662330, Compound 203

SMILES: Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1

InChI Key: InChIKey=VCUDPIDWGUKVBC-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 = 224525   

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))	BDBM224525 (US10080750, Compound 203 | US9321760, 203 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1 Show InChI InChI=1S/C22H22F2N6O/c23-15-6-7-16(17(24)10-15)21(31)27-11-22(26)8-9-30(12-22)20-18(19(25)28-13-29-20)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12,26H2,(H,27,31)(H2,25,28,29)	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	5.30	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))	BDBM224525 (US10080750, Compound 203 | US9321760, 203 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1 Show InChI InChI=1S/C22H22F2N6O/c23-15-6-7-16(17(24)10-15)21(31)27-11-22(26)8-9-30(12-22)20-18(19(25)28-13-29-20)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12,26H2,(H,27,31)(H2,25,28,29)	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	5.30	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))	BDBM224525 (US10080750, Compound 203 | US9321760, 203 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1 Show InChI InChI=1S/C22H22F2N6O/c23-15-6-7-16(17(24)10-15)21(31)27-11-22(26)8-9-30(12-22)20-18(19(25)28-13-29-20)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12,26H2,(H,27,31)(H2,25,28,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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