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BDBM224559 US10080750, Compound 242::US9321760, 242::US9662330, Compound 242

SMILES: Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c1C#N

InChI Key: InChIKey=WCODJIIFCALPQM-INIZCTEOSA-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 = 224559   
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))
BDBM224559
PNG
(US10080750, Compound 242 | US9321760, 242 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C20H24ClN7O2/c21-14-3-1-13(2-4-14)16(5-10-29)27-19(30)20(24)6-8-28(9-7-20)18-15(11-22)17(23)25-12-26-18/h1-4,12,16,29H,5-10,24H2,(H,27,30)(H2,23,25,26)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 98n/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))
BDBM224559
PNG
(US10080750, Compound 242 | US9321760, 242 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C20H24ClN7O2/c21-14-3-1-13(2-4-14)16(5-10-29)27-19(30)20(24)6-8-28(9-7-20)18-15(11-22)17(23)25-12-26-18/h1-4,12,16,29H,5-10,24H2,(H,27,30)(H2,23,25,26)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 98n/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))
BDBM224559
PNG
(US10080750, Compound 242 | US9321760, 242 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C20H24ClN7O2/c21-14-3-1-13(2-4-14)16(5-10-29)27-19(30)20(24)6-8-28(9-7-20)18-15(11-22)17(23)25-12-26-18/h1-4,12,16,29H,5-10,24H2,(H,27,30)(H2,23,25,26)/t16-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 98n/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