BDBM50588525 CHEMBL5177956

SMILES COc1ccc(cc1)-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1

InChI Key InChIKey=WHDQELXDNKHASW-UHFFFAOYSA-N

Data  13 IC50  1 Kd

  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 14 hits for monomerid = 50588525   

TargetSignal transducer and activator of transcription 3(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 5.30nMAssay Description:Inhibition of STAT3 in human HEK293T cells assessed as inhibition of IL-6 stimulated STAT3 phosphorylation by dual-luciferase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 30 mins in presence of NADPH by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 60 mins in presence of NADPH by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 60 mins in presence of NADPH by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetSignal transducer and activator of transcription 3(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataKd:  21nMAssay Description:Binding affinity to human recombinant STAT3 expressed in Escherichia coli BL21 by MST assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetTyrosine-protein kinase JAK1(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of JAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetMitogen-activated protein kinase 3(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ERK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetMitogen-activated protein kinase 8(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of JNK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetMitogen-activated protein kinase 13(Human)
East China Normal University

Curated by ChEMBL
LigandPNGBDBM50588525(CHEMBL5177956)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of p38delta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed