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BDBM224546 US10080750, Compound 229::US9321760, 229::US9662330, Compound 229

SMILES: COc1ccc(cc1)[C@H](CCO)NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1C#N

InChI Key: InChIKey=JPNGWFYHHPMRKI-KRWDZBQOSA-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 = 224546   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224546
PNG
(US10080750, Compound 229 | US9321760, 229 | US9662...)
Show SMILES COc1ccc(cc1)[C@H](CCO)NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C21H27N7O3/c1-31-15-4-2-14(3-5-15)17(6-11-29)27-20(30)21(24)7-9-28(10-8-21)19-16(12-22)18(23)25-13-26-19/h2-5,13,17,29H,6-11,24H2,1H3,(H,27,30)(H2,23,25,26)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 450n/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))
BDBM224546
PNG
(US10080750, Compound 229 | US9321760, 229 | US9662...)
Show SMILES COc1ccc(cc1)[C@H](CCO)NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C21H27N7O3/c1-31-15-4-2-14(3-5-15)17(6-11-29)27-20(30)21(24)7-9-28(10-8-21)19-16(12-22)18(23)25-13-26-19/h2-5,13,17,29H,6-11,24H2,1H3,(H,27,30)(H2,23,25,26)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 450n/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)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM224546
PNG
(US10080750, Compound 229 | US9321760, 229 | US9662...)
Show SMILES COc1ccc(cc1)[C@H](CCO)NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C21H27N7O3/c1-31-15-4-2-14(3-5-15)17(6-11-29)27-20(30)21(24)7-9-28(10-8-21)19-16(12-22)18(23)25-13-26-19/h2-5,13,17,29H,6-11,24H2,1H3,(H,27,30)(H2,23,25,26)/t17-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 450n/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)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair