BDBM224521 US10080750, Compound 199::US9321760, 199::US9662330, Compound 199

SMILES: Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C#N

InChI Key: InChIKey=ORHFSYABRNWCKA-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 = 224521   

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))	BDBM224521 (US10080750, Compound 199 | US9321760, 199 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C#N Show InChI InChI=1S/C23H21F2N7O/c24-16-5-6-17(18(25)9-16)22(33)29-11-23(28)7-8-32(12-23)21-19(20(27)30-13-31-21)15-3-1-14(10-26)2-4-15/h1-6,9,13H,7-8,11-12,28H2,(H,29,33)(H2,27,30,31)	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	11	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))	BDBM224521 (US10080750, Compound 199 | US9321760, 199 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C#N Show InChI InChI=1S/C23H21F2N7O/c24-16-5-6-17(18(25)9-16)22(33)29-11-23(28)7-8-32(12-23)21-19(20(27)30-13-31-21)15-3-1-14(10-26)2-4-15/h1-6,9,13H,7-8,11-12,28H2,(H,29,33)(H2,27,30,31)	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	11	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))	BDBM224521 (US10080750, Compound 199 | US9321760, 199 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C#N Show InChI InChI=1S/C23H21F2N7O/c24-16-5-6-17(18(25)9-16)22(33)29-11-23(28)7-8-32(12-23)21-19(20(27)30-13-31-21)15-3-1-14(10-26)2-4-15/h1-6,9,13H,7-8,11-12,28H2,(H,29,33)(H2,27,30,31)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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