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BDBM224511 US10080750, Compound 189::US9321760, 189::US9662330, Compound 189

SMILES: Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(nc2)C(F)(F)F)c1-c1ccc(F)cc1

InChI Key: InChIKey=QWLMSTZXMUMIFV-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 = 224511   
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))
BDBM224511
PNG
(US10080750, Compound 189 | US9321760, 189 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(nc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F4N7/c23-16-4-1-14(2-5-16)19-20(28)30-13-31-21(19)33-9-7-32(8-10-33)17(11-27)15-3-6-18(29-12-15)22(24,25)26/h1-6,12-13,17H,7-10H2,(H2,28,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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))
BDBM224511
PNG
(US10080750, Compound 189 | US9321760, 189 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(nc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F4N7/c23-16-4-1-14(2-5-16)19-20(28)30-13-31-21(19)33-9-7-32(8-10-33)17(11-27)15-3-6-18(29-12-15)22(24,25)26/h1-6,12-13,17H,7-10H2,(H2,28,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM224511
PNG
(US10080750, Compound 189 | US9321760, 189 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(nc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F4N7/c23-16-4-1-14(2-5-16)19-20(28)30-13-31-21(19)33-9-7-32(8-10-33)17(11-27)15-3-6-18(29-12-15)22(24,25)26/h1-6,12-13,17H,7-10H2,(H2,28,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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)

More data for this
Ligand-Target Pair