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BDBM182426 US9145392, 127

SMILES: Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNCCCCl)-c2ccnc(c2)C(F)(F)F)c1Br

InChI Key: InChIKey=KIOZCJFPASJAIE-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 = 182426   
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))
BDBM182426
PNG
(US9145392, 127)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNCCCCl)-c2ccnc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C23H27BrClF3N8/c24-19-20(29)32-14-33-22(19)35-9-3-15(4-10-35)21-34-17(13-36(21)11-8-30-6-1-5-25)16-2-7-31-18(12-16)23(26,27)28/h2,7,12-15,30H,1,3-6,8-11H2,(H2,29,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.80n/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))
BDBM182426
PNG
(US9145392, 127)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNCCCCl)-c2ccnc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C23H27BrClF3N8/c24-19-20(29)32-14-33-22(19)35-9-3-15(4-10-35)21-34-17(13-36(21)11-8-30-6-1-5-25)16-2-7-31-18(12-16)23(26,27)28/h2,7,12-15,30H,1,3-6,8-11H2,(H2,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/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