BDBM50308135 1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}phenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea::CHEMBL592445::PKI-587

SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1

InChI Key InChIKey=DWZAEMINVBZMHQ-UHFFFAOYSA-N

Data  27 IC50  9 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50308135   

LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Bioland Laboratory (Guangzhou Regenerative Medicine And Health - Guangdong Laboratory)

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Bioland Laboratory (Guangzhou Regenerative Medicine And Health - Guangdong Laboratory)

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  6nMAssay Description:Inhibition of PI3KbetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  6nMAssay Description:Inhibition of PI3KdeltaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Bioland Laboratory (Guangzhou Regenerative Medicine And Health - Guangdong Laboratory)

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of PI3KalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  5.40nMAssay Description:Inhibition of PI3KgammaMore data for this Ligand-Target Pair
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataKd:  24nMAssay Description:Binding affinity to human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataKd:  76nMAssay Description:Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataKd:  0.460nMAssay Description:Binding affinity to human PI3KC2beta (M1 to L1634 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataKd:  5.10E+3nMAssay Description:Binding affinity to human VPS34 (S282 to H879 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataKd: >3.00E+4nMAssay Description:Binding affinity to DNAPK (unknown origin) by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataKd:  3.5nMAssay Description:Binding affinity to human PI3Kbeta (P118 to S1070 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Bioland Laboratory (Guangzhou Regenerative Medicine And Health - Guangdong Laboratory)

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataKd:  0.940nMAssay Description:Binding affinity to human mTOR (L1382 to W2549 residues) expressed in mammalian expression system at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4-kinase beta(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataKd: >3.00E+4nMAssay Description:Binding affinity to human PI4KCbeta (M1 to M828 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataKd:  1nMAssay Description:Binding affinity to human PI3Kalpha (R108 to N1068 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  6nMAssay Description:Inhibition of wild type human PI3K p110gamma using PIP2 as substrate by TR-FRET assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Bioland Laboratory (Guangzhou Regenerative Medicine And Health - Guangdong Laboratory)

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  1nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  6nMAssay Description:Inhibition of wild type human PI3K p110beta using PIP2 as substrate by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  8nMAssay Description:Inhibition of wild type human PI3K p110delta using PIP2 as substrate by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of wild type human PI3K p110alpha using PIP2 as substrate by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  6nMAssay Description:Inhibition of PI3Kalpha (unknown origin) measured after 1 hr by ADP-glo plus luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Bioland Laboratory (Guangzhou Regenerative Medicine And Health - Guangdong Laboratory)

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of mTOR (unknown origin) measured after 45 mins by LANCE Ultra assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  6nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Bioland Laboratory (Guangzhou Regenerative Medicine And Health - Guangdong Laboratory)

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of mTOR (unknown origin) using U-Light-4E-BP1 peptide as a substrate in presence of ATP incubated for 45 mins by Lance ultra assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  28nMAssay Description:Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  41nMAssay Description:Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assayMore data for this Ligand-Target Pair
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  156nMAssay Description:Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Guizhou Medical University

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Guizhou Medical University

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Guizhou Medical University

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Guizhou Medical University

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Guizhou Medical University

Curated by ChEMBL
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of PI3Kalpha (unknown origin) expressed in baculovirus expression system using L-alpha-phosphatidylinositol as substrate by luminescence a...More data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50308135(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Affinity DataIC50:  11nMAssay Description:Inhibition of human PI3Kgamma expressed in SF9 insect cells after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair