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BDBM182677 US9145392, 378

SMILES: Cc1cc(ccc1F)-c1cn(CCNCC2CC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N

InChI Key: InChIKey=KVGXNQBHBACSGG-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 = 182677   
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))
BDBM182677
PNG
(US9145392, 378)
Show SMILES Cc1cc(ccc1F)-c1cn(CCNCC2CC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C26H31FN8/c1-17-12-20(4-5-22(17)27)23-15-35(11-8-30-14-18-2-3-18)25(33-23)19-6-9-34(10-7-19)26-21(13-28)24(29)31-16-32-26/h4-5,12,15-16,18-19,30H,2-3,6-11,14H2,1H3,(H2,29,31,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.30n/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))
BDBM182677
PNG
(US9145392, 378)
Show SMILES Cc1cc(ccc1F)-c1cn(CCNCC2CC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C26H31FN8/c1-17-12-20(4-5-22(17)27)23-15-35(11-8-30-14-18-2-3-18)25(33-23)19-6-9-34(10-7-19)26-21(13-28)24(29)31-16-32-26/h4-5,12,15-16,18-19,30H,2-3,6-11,14H2,1H3,(H2,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.800n/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