BDBM224523 US10080750, Compound 201::US9321760, 201::US9662330, Compound 201

SMILES: COc1ccc(cn1)-c1c(N)ncnc1N1CCC(N)(CNC(=O)c2ccc(F)cc2F)C1

InChI Key: InChIKey=KSMFXECOIXXBDB-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 = 224523   

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))	BDBM224523 (US10080750, Compound 201 | US9321760, 201 | US9662...) Show SMILES COc1ccc(cn1)-c1c(N)ncnc1N1CCC(N)(CNC(=O)c2ccc(F)cc2F)C1 Show InChI InChI=1S/C22H23F2N7O2/c1-33-17-5-2-13(9-27-17)18-19(25)29-12-30-20(18)31-7-6-22(26,11-31)10-28-21(32)15-4-3-14(23)8-16(15)24/h2-5,8-9,12H,6-7,10-11,26H2,1H3,(H,28,32)(H2,25,29,30)	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	9.5	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))	BDBM224523 (US10080750, Compound 201 | US9321760, 201 | US9662...) Show SMILES COc1ccc(cn1)-c1c(N)ncnc1N1CCC(N)(CNC(=O)c2ccc(F)cc2F)C1 Show InChI InChI=1S/C22H23F2N7O2/c1-33-17-5-2-13(9-27-17)18-19(25)29-12-30-20(18)31-7-6-22(26,11-31)10-28-21(32)15-4-3-14(23)8-16(15)24/h2-5,8-9,12H,6-7,10-11,26H2,1H3,(H,28,32)(H2,25,29,30)	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	9.5	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))	BDBM224523 (US10080750, Compound 201 | US9321760, 201 | US9662...) Show SMILES COc1ccc(cn1)-c1c(N)ncnc1N1CCC(N)(CNC(=O)c2ccc(F)cc2F)C1 Show InChI InChI=1S/C22H23F2N7O2/c1-33-17-5-2-13(9-27-17)18-19(25)29-12-30-20(18)31-7-6-22(26,11-31)10-28-21(32)15-4-3-14(23)8-16(15)24/h2-5,8-9,12H,6-7,10-11,26H2,1H3,(H,28,32)(H2,25,29,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	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