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BDBM50341035 1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)phenyl)-3-methylurea::CHEMBL1760154

SMILES: CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1

InChI Key: InChIKey=LYZVYVLSMGRTPB-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 = 50341035   
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 alpha isoform


(Homo sapiens (Human))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 6n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 17n/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))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 11n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 2n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 340n/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))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 11n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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PubMed
n/an/a 13n/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