BDBM182656 US9145392, 357

SMILES: Nc1ncnc(N2CCC(CC2)c2nc(cn2CCO)-c2ccc(F)c(c2)C(F)(F)F)c1C#N

InChI Key: InChIKey=WRWWQYDXUXWNBS-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 = 182656   

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))	BDBM182656 (US9145392, 357) Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCO)-c2ccc(F)c(c2)C(F)(F)F)c1C#N Show InChI InChI=1S/C22H21F4N7O/c23-17-2-1-14(9-16(17)22(24,25)26)18-11-33(7-8-34)20(31-18)13-3-5-32(6-4-13)21-15(10-27)19(28)29-12-30-21/h1-2,9,11-13,34H,3-8H2,(H2,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	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))	BDBM182656 (US9145392, 357) Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCO)-c2ccc(F)c(c2)C(F)(F)F)c1C#N Show InChI InChI=1S/C22H21F4N7O/c23-17-2-1-14(9-16(17)22(24,25)26)18-11-33(7-8-34)20(31-18)13-3-5-32(6-4-13)21-15(10-27)19(28)29-12-30-21/h1-2,9,11-13,34H,3-8H2,(H2,28,29,30)	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	0.800	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