BDBM50539550 CHEMBL4643134

SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C

InChI Key InChIKey=LOIDURPHCVSHLE-UHFFFAOYSA-N

Data  8 IC50  2 Kd  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50539550   

LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataKd:  0.700nMAssay Description:Binding affinity to Keap1 (unknown origin) by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataEC50:  360nMAssay Description:Induction of Nrf2 nuclear translocation in human U2OS cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataEC50:  9.20nMAssay Description:Activation of Nrf2 in human spinal cord astrocytes assessed as increase in glutathione level after 20 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataEC50:  360nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction assessed induction of Nrf2 nuclear translocationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50539550(CHEMBL4643134)
Affinity DataKd:  0.700nMAssay Description:Binding affinity to Keap1 kelch domain (unknown origin) by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed