BDBM224462 US10080750, Compound 140::US9321760, 140::US9662330, Compound 140

SMILES: Nc1ncnc(N2CCC(CC2)C(O)c2ccc(F)cc2)c1-c1ccc(F)cc1

InChI Key: InChIKey=PJWWQBCGYUWLIR-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 = 224462   

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))	BDBM224462 (US10080750, Compound 140 | US9321760, 140 | US9662...) Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(F)cc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F2N4O/c23-17-5-1-14(2-6-17)19-21(25)26-13-27-22(19)28-11-9-16(10-12-28)20(29)15-3-7-18(24)8-4-15/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)	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	4.60	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))	BDBM224462 (US10080750, Compound 140 | US9321760, 140 | US9662...) Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(F)cc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F2N4O/c23-17-5-1-14(2-6-17)19-21(25)26-13-27-22(19)28-11-9-16(10-12-28)20(29)15-3-7-18(24)8-4-15/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)	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	4.60	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))	BDBM224462 (US10080750, Compound 140 | US9321760, 140 | US9662...) Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(F)cc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F2N4O/c23-17-5-1-14(2-6-17)19-21(25)26-13-27-22(19)28-11-9-16(10-12-28)20(29)15-3-7-18(24)8-4-15/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	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