null

SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCCO)c1=O

InChI Key InChIKey=XDLYKKIQACFMJG-WKILWMFISA-N

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50380313   

LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataKi:  0.570nMAssay Description:Inhibition of PI3KalphaMore data for this Ligand-Target Pair
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataKi:  0.570nMAssay Description:Inhibition of mouse PI3KalphaMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataKi:  16nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ890XPubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataKi:  16nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5GN2PubMed
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 2.10nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 1.60nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 1.90nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 1.80nMAssay Description:Inhibition of choline acetyltransferase (ChAT) activityMore data for this Ligand-Target Pair
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 2.10nMAssay Description:Inhibition of choline acetyltransferase (ChAT) activityMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 1.60nMAssay Description:Inhibition of choline acetyltransferase (ChAT) activityMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 1.90nMAssay Description:Inhibition of squalene synthetase was determined in rat liver microsomesMore data for this Ligand-Target Pair
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 1.80nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 3.30nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate by Kinase-Glo assayMore data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of AKT phosphorylation at Ser 473 in human BT20 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ890XPubMed
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 8.30nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate compound preincubated for 15 mins by luciferase-based luminescence assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 7.90nMAssay Description:Inhibition of mTOR (unknown origin) after 40 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29ZF1PubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 7.90nMAssay Description:Inhibition of mTOR (unknown origin) assessed as inhibition of 4EBP-1 phosphorylation preincubated for 15 mins before substrate addition by TR-FRET as...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2862J4BPubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 16nMAssay Description:Inhibition of squalene synthetase was determined in rat liver microsomesMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 4.85nMpH: 7.4 T: 2°CAssay Description:Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...More data for this Ligand-Target Pair
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)copy SMILEScopy InChI
Affinity DataIC50: 8.30nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescen...More data for this Ligand-Target Pair