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BDBM50341054 3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)phenol::CHEMBL1762788

SMILES: Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12

InChI Key: InChIKey=DQEGKWHMQYJUKR-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50341054   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 150n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-Screen enzyme assay


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
PDB
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PC sid
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PubMed
n/an/a 9n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of AKT at S473


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair