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BDBM224324 US10080750, Compound 1::US9321760, 1::US9662330, Compound 1

SMILES: NCC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=KDVZJCYZKUTIHP-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 = 224324   
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))
BDBM224324
PNG
(US10080750, Compound 1 | US9321760, 1 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H20BrF3N6/c18-14-15(23)24-10-25-16(14)27-7-5-26(6-8-27)13(9-22)11-1-3-12(4-2-11)17(19,20)21/h1-4,10,13H,5-9,22H2,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80n/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))
BDBM224324
PNG
(US10080750, Compound 1 | US9321760, 1 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H20BrF3N6/c18-14-15(23)24-10-25-16(14)27-7-5-26(6-8-27)13(9-22)11-1-3-12(4-2-11)17(19,20)21/h1-4,10,13H,5-9,22H2,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.80n/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))
BDBM224324
PNG
(US10080750, Compound 1 | US9321760, 1 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H20BrF3N6/c18-14-15(23)24-10-25-16(14)27-7-5-26(6-8-27)13(9-22)11-1-3-12(4-2-11)17(19,20)21/h1-4,10,13H,5-9,22H2,(H2,23,24,25)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.80n/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