BDBM182454 US9145392, 155

SMILES: Nc1ncnc(N2CCC(CC2)c2nc(cn2C2CCNCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N

InChI Key: InChIKey=XCTRDYNPZXNINO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 182454   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM182454 (US9145392, 155) Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2C2CCNCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N Show InChI InChI=1S/C25H26F4N8/c26-20-2-1-16(11-19(20)25(27,28)29)21-13-37(17-3-7-32-8-4-17)23(35-21)15-5-9-36(10-6-15)24-18(12-30)22(31)33-14-34-24/h1-2,11,13-15,17,32H,3-10H2,(H2,31,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...				US Patent US9145392 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86D2
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K) (Homo sapiens (Human))	BDBM182454 (US9145392, 155) Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2C2CCNCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N Show InChI InChI=1S/C25H26F4N8/c26-20-2-1-16(11-19(20)25(27,28)29)21-13-37(17-3-7-32-8-4-17)23(35-21)15-5-9-36(10-6-15)24-18(12-30)22(31)33-14-34-24/h1-2,11,13-15,17,32H,3-10H2,(H2,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	25
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...				US Patent US9145392 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86D2
					More data for this Ligand-Target Pair