null

SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1

InChI Key InChIKey=SIKYDKLGPWRPMZ-LBPRGKRZSA-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50149548   

LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMAssay Description:Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataKi:  0.350nMAssay Description:The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...More data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase regulatory subunit alpha(Homo sapiens (Human))
Genentech, Inc.

US Patent
LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataKi:  0.350nMAssay Description:PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...More data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
Genentech, Inc.

US Patent
LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataKi:  6.94nMAssay Description:The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2WS8X9VUS Patent
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
Genentech, Inc.

US Patent
LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataKi:  6.94nMAssay Description:PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8VRVPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8VRVPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8VRVPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8VRVPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50149548(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8VRVPubMed