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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50451423   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50451423
PNG
(CHEMBL4217392)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)
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1n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of full-length human P110alpha (1 to 1068 residues)/N-terminal GST-fused p85alpha (1 to 724 residues) expressed in baculovirus expression ...


Bioorg Med Chem Lett 27: 4794-4799 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.059
BindingDB Entry DOI: 10.7270/Q2F76G4X
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50451423
PNG
(CHEMBL4217392)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)
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6.30n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human full-length p85alpha expressed in baculovirus infected Sf21 insect...


Bioorg Med Chem Lett 27: 4794-4799 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.059
BindingDB Entry DOI: 10.7270/Q2F76G4X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50451423
PNG
(CHEMBL4217392)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)
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21n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human N-terminal His6-tagged p110gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...


Bioorg Med Chem Lett 27: 4794-4799 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.059
BindingDB Entry DOI: 10.7270/Q2F76G4X
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50451423
PNG
(CHEMBL4217392)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)
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155n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay


Bioorg Med Chem Lett 27: 4794-4799 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.059
BindingDB Entry DOI: 10.7270/Q2F76G4X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50451423
PNG
(CHEMBL4217392)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)
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1.26E+3n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system by AlexaFluor647-...


Bioorg Med Chem Lett 27: 4794-4799 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.059
BindingDB Entry DOI: 10.7270/Q2F76G4X
More data for this
Ligand-Target Pair