BDBM50543100 CHEMBL4632970

SMILES CNC(=O)[C@H](C)Cn1cnc2ccc(cc2c1=O)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1

InChI Key InChIKey=LPATWVFSBNDSHR-UHFFFAOYSA-N

Data  11 IC50

  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 11 hits for monomerid = 50543100   

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2:3PS peptide as substrate preincubated for 15 mins followed by ATP addition at Km concentration an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 12nMAssay Description:Inhibition of PI3Kalpha in human BT474 cells expressing P3KCA mutant assessed as reduction in AKT phosphorylation at residue S473 incubated for 2 hrs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 183nMAssay Description:Inhibition of PI3Kdelta in human Jeko1 cells assessed as reduction in AKT phosphorylation at residue S473 measured after 2 hrs by sandwich ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 1.39E+3nMAssay Description:Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at residue S473 measured after 30 mins by sandwich ELIS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Mouse)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at residue S473 treated with mouse C5a component and mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 2.16E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 2.33E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 2.75E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Luoxin Pharmaceutical (Shanghai) Co.

Curated by ChEMBL
LigandPNGBDBM50543100(CHEMBL4632970)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed