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BDBM182470 US9145392, 171

SMILES: CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCNC)-c1ccnc(c1)C(F)(F)F

InChI Key: InChIKey=QWYFZEWKZWQGDU-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 = 182470   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182470
PNG
(US9145392, 171)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCNC)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-3-17-20(27)30-14-31-22(17)33-9-5-15(6-10-33)21-32-18(13-34(21)11-8-28-2)16-4-7-29-19(12-16)23(24,25)26/h4,7,12-15,28H,3,5-6,8-11H2,1-2H3,(H2,27,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10n/an/an/an/a7.5n/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))
BDBM182470
PNG
(US9145392, 171)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCNC)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-3-17-20(27)30-14-31-22(17)33-9-5-15(6-10-33)21-32-18(13-34(21)11-8-28-2)16-4-7-29-19(12-16)23(24,25)26/h4,7,12-15,28H,3,5-6,8-11H2,1-2H3,(H2,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/an/an/an/a7.525



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