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BDBM224525 US10080750, Compound 203::US9321760, 203::US9662330, Compound 203

SMILES: Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1

InChI Key: InChIKey=VCUDPIDWGUKVBC-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 = 224525   
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))
BDBM224525
PNG
(US10080750, Compound 203 | US9321760, 203 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1
Show InChI InChI=1S/C22H22F2N6O/c23-15-6-7-16(17(24)10-15)21(31)27-11-22(26)8-9-30(12-22)20-18(19(25)28-13-29-20)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12,26H2,(H,27,31)(H2,25,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30n/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))
BDBM224525
PNG
(US10080750, Compound 203 | US9321760, 203 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1
Show InChI InChI=1S/C22H22F2N6O/c23-15-6-7-16(17(24)10-15)21(31)27-11-22(26)8-9-30(12-22)20-18(19(25)28-13-29-20)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12,26H2,(H,27,31)(H2,25,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.30n/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))
BDBM224525
PNG
(US10080750, Compound 203 | US9321760, 203 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1
Show InChI InChI=1S/C22H22F2N6O/c23-15-6-7-16(17(24)10-15)21(31)27-11-22(26)8-9-30(12-22)20-18(19(25)28-13-29-20)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12,26H2,(H,27,31)(H2,25,28,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.30n/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