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BDBM50380933 CHEMBL2012699

SMILES: CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12

InChI Key: InChIKey=MYIRXQMHGQHKKB-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50380933   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
PDB

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UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 434n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 3 hrs by luciferase based chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.011
BindingDB Entry DOI: 10.7270/Q2WD41MT
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human A549 cells after 3 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.011
BindingDB Entry DOI: 10.7270/Q2WD41MT
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.011
BindingDB Entry DOI: 10.7270/Q2WD41MT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
PDB

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antibodypedia
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PubMed
n/an/a 3.59E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of AKT1-mediated GSK3beta phosphorylation in human PC3 cells after 3 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.011
BindingDB Entry DOI: 10.7270/Q2WD41MT
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 832n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human PC3 cells after 3 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.011
BindingDB Entry DOI: 10.7270/Q2WD41MT
More data for this
Ligand-Target Pair