null

SMILES: COC(=O)c1ccc(cc1)-c1c(N)ncnc1N1CCN(CC1)C(CN(C)C)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=ZLHKITOOTQYHQW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 224346   

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 beta-1 (Homo sapiens (Human))	BDBM224346 (US10080750, Compound 23 | US9321760, 23 | US966233...) Show SMILES COC(=O)c1ccc(cc1)-c1c(N)ncnc1N1CCN(CC1)C(CN(C)C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F3N6O2/c1-34(2)16-22(18-8-10-21(11-9-18)27(28,29)30)35-12-14-36(15-13-35)25-23(24(31)32-17-33-25)19-4-6-20(7-5-19)26(37)38-3/h4-11,17,22H,12-16H2,1-3H3,(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	12	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 beta-1 (Homo sapiens (Human))	BDBM224346 (US10080750, Compound 23 | US9321760, 23 | US966233...) Show SMILES COC(=O)c1ccc(cc1)-c1c(N)ncnc1N1CCN(CC1)C(CN(C)C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F3N6O2/c1-34(2)16-22(18-8-10-21(11-9-18)27(28,29)30)35-12-14-36(15-13-35)25-23(24(31)32-17-33-25)19-4-6-20(7-5-19)26(37)38-3/h4-11,17,22H,12-16H2,1-3H3,(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	12	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
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224346 (US10080750, Compound 23 | US9321760, 23 | US966233...) Show SMILES COC(=O)c1ccc(cc1)-c1c(N)ncnc1N1CCN(CC1)C(CN(C)C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F3N6O2/c1-34(2)16-22(18-8-10-21(11-9-18)27(28,29)30)35-12-14-36(15-13-35)25-23(24(31)32-17-33-25)19-4-6-20(7-5-19)26(37)38-3/h4-11,17,22H,12-16H2,1-3H3,(H2,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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