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BDBM224551 US10080750, Compound 234::US9321760, 234::US9662330, Compound 234

SMILES: COC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1Cl)c1ccc(Cl)cc1

InChI Key: InChIKey=FVOXEQMQWIMPRE-YQTOOIBONA-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 = 224551   
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))
BDBM224551
PNG
(US10080750, Compound 234 | US9321760, 234 | US9662...)
Show SMILES COC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1Cl)c1ccc(Cl)cc1
Show InChI InChI=1/C19H24Cl2N6O2/c1-29-10-14(12-2-4-13(20)5-3-12)26-18(28)19(23)6-8-27(9-7-19)17-15(21)16(22)24-11-25-17/h2-5,11,14H,6-10,23H2,1H3,(H,26,28)(H2,22,24,25)/t14-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 560n/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))
BDBM224551
PNG
(US10080750, Compound 234 | US9321760, 234 | US9662...)
Show SMILES COC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1Cl)c1ccc(Cl)cc1
Show InChI InChI=1/C19H24Cl2N6O2/c1-29-10-14(12-2-4-13(20)5-3-12)26-18(28)19(23)6-8-27(9-7-19)17-15(21)16(22)24-11-25-17/h2-5,11,14H,6-10,23H2,1H3,(H,26,28)(H2,22,24,25)/t14-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 560n/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)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM224551
PNG
(US10080750, Compound 234 | US9321760, 234 | US9662...)
Show SMILES COC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1Cl)c1ccc(Cl)cc1
Show InChI InChI=1/C19H24Cl2N6O2/c1-29-10-14(12-2-4-13(20)5-3-12)26-18(28)19(23)6-8-27(9-7-19)17-15(21)16(22)24-11-25-17/h2-5,11,14H,6-10,23H2,1H3,(H,26,28)(H2,22,24,25)/t14-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 560n/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)


Article DOI: 10.1021/bi049459m
BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair