BDBM182680 US9145392, 381

SMILES: Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNC2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N

InChI Key: InChIKey=CDOPSCORKPCGMU-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 = 182680   

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))	BDBM182680 (US9145392, 381) Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNC2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N Show InChI InChI=1S/C27H30F4N8/c28-22-6-5-18(13-21(22)27(29,30)31)23-15-39(12-9-34-19-3-1-2-4-19)25(37-23)17-7-10-38(11-8-17)26-20(14-32)24(33)35-16-36-26/h5-6,13,15-17,19,34H,1-4,7-12H2,(H2,33,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	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))	BDBM182680 (US9145392, 381) Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNC2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N Show InChI InChI=1S/C27H30F4N8/c28-22-6-5-18(13-21(22)27(29,30)31)23-15-39(12-9-34-19-3-1-2-4-19)25(37-23)17-7-10-38(11-8-17)26-20(14-32)24(33)35-16-36-26/h5-6,13,15-17,19,34H,1-4,7-12H2,(H2,33,35,36)	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	1.10	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