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BDBM224542 US10080750, Compound 225::US9321760, 225::US9662330, Compound 225

SMILES: CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(Cl)cc1

InChI Key: InChIKey=YSMIANCCLJIZHM-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 = 224542   
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))
BDBM224542
PNG
(US10080750, Compound 225 | US9321760, 225 | US9662...)
Show SMILES CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN8O/c1-2-17(14-3-5-16(23)6-4-14)30-21(32)22(25)7-9-31(10-8-22)20-18(15-11-28-29-12-15)19(24)26-13-27-20/h3-6,11-13,17H,2,7-10,25H2,1H3,(H,28,29)(H,30,32)(H2,24,26,27)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 78n/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))
BDBM224542
PNG
(US10080750, Compound 225 | US9321760, 225 | US9662...)
Show SMILES CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN8O/c1-2-17(14-3-5-16(23)6-4-14)30-21(32)22(25)7-9-31(10-8-22)20-18(15-11-28-29-12-15)19(24)26-13-27-20/h3-6,11-13,17H,2,7-10,25H2,1H3,(H,28,29)(H,30,32)(H2,24,26,27)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 78n/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))
BDBM224542
PNG
(US10080750, Compound 225 | US9321760, 225 | US9662...)
Show SMILES CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN8O/c1-2-17(14-3-5-16(23)6-4-14)30-21(32)22(25)7-9-31(10-8-22)20-18(15-11-28-29-12-15)19(24)26-13-27-20/h3-6,11-13,17H,2,7-10,25H2,1H3,(H,28,29)(H,30,32)(H2,24,26,27)/t17-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 78n/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