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BDBM224363 US10080750, Compound 40::US9321760, 40::US9662330, Compound 40

SMILES: Cn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=VAIFBJMSMMVFMV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 224363   
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224363
PNG
(US10080750, Compound 40 | US9321760, 40 | US966233...)
Show SMILES Cn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N8/c1-30-12-15(11-29-30)18-19(26)27-13-28-20(18)32-8-6-31(7-9-32)17(10-25)14-2-4-16(5-3-14)21(22,23)24/h2-5,11-13,17H,6-10,25H2,1H3,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224363
PNG
(US10080750, Compound 40 | US9321760, 40 | US966233...)
Show SMILES Cn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N8/c1-30-12-15(11-29-30)18-19(26)27-13-28-20(18)32-8-6-31(7-9-32)17(10-25)14-2-4-16(5-3-14)21(22,23)24/h2-5,11-13,17H,6-10,25H2,1H3,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 11n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM224363
PNG
(US10080750, Compound 40 | US9321760, 40 | US966233...)
Show SMILES Cn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N8/c1-30-12-15(11-29-30)18-19(26)27-13-28-20(18)32-8-6-31(7-9-32)17(10-25)14-2-4-16(5-3-14)21(22,23)24/h2-5,11-13,17H,6-10,25H2,1H3,(H2,26,27,28)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 11n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10080750 (2018)


Article DOI: 10.1021/bi049459m
More data for this
Ligand-Target Pair