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BDBM224418 US10080750, Compound 95::US9321760, 95::US9662330, Compound 95

SMILES: COc1ccc(cc1F)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1

InChI Key: InChIKey=NTFDLPTYWXUGAT-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 = 224418   
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))
BDBM224418
PNG
(US10080750, Compound 95 | US9321760, 95 | US966233...)
Show SMILES COc1ccc(cc1F)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H29FN8O/c1-33-20-4-3-16(11-18(20)24)19(14-30-5-2-6-30)31-7-9-32(10-8-31)23-21(17-12-28-29-13-17)22(25)26-15-27-23/h3-4,11-13,15,19H,2,5-10,14H2,1H3,(H,28,29)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+3n/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))
BDBM224418
PNG
(US10080750, Compound 95 | US9321760, 95 | US966233...)
Show SMILES COc1ccc(cc1F)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H29FN8O/c1-33-20-4-3-16(11-18(20)24)19(14-30-5-2-6-30)31-7-9-32(10-8-31)23-21(17-12-28-29-13-17)22(25)26-15-27-23/h3-4,11-13,15,19H,2,5-10,14H2,1H3,(H,28,29)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+3n/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))
BDBM224418
PNG
(US10080750, Compound 95 | US9321760, 95 | US966233...)
Show SMILES COc1ccc(cc1F)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H29FN8O/c1-33-20-4-3-16(11-18(20)24)19(14-30-5-2-6-30)31-7-9-32(10-8-31)23-21(17-12-28-29-13-17)22(25)26-15-27-23/h3-4,11-13,15,19H,2,5-10,14H2,1H3,(H,28,29)(H2,25,26,27)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+3n/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