BDBM182673 US9145392, 374

SMILES: CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=XPDILXVPINMDCE-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 = 182673   

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))	BDBM182673 (US9145392, 374) Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C23H24F4N8/c1-30-6-9-35-12-19(15-2-3-18(24)17(10-15)23(25,26)27)33-21(35)14-4-7-34(8-5-14)22-16(11-28)20(29)31-13-32-22/h2-3,10,12-14,30H,4-9H2,1H3,(H2,29,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	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))	BDBM182673 (US9145392, 374) Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C23H24F4N8/c1-30-6-9-35-12-19(15-2-3-18(24)17(10-15)23(25,26)27)33-21(35)14-4-7-34(8-5-14)22-16(11-28)20(29)31-13-32-22/h2-3,10,12-14,30H,4-9H2,1H3,(H2,29,31,32)	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	0.400	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