BDBM415702 US10442759, Compound I-14

SMILES COc1ccc(cc1)C(Oc1ccc(N(CC(O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12)C(O)=O

InChI Key InChIKey=SNWXNMFUFJGUTF-UHFFFAOYSA-N

Data  8 IC50  2 Kd

  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 10 hits for monomerid = 415702   

TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataKd:  24nMAssay Description:Binding affinity to purified Keap1 Kelch domain (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataKd:  37nMAssay Description:Binding affinity to biotinylated-Keap1 Kelch domain (unknown origin) by biolayer interferometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataIC50: 75nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interactionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataIC50: 75nMAssay Description:Inhibition of Keap1 kelch domain to Nrf2 (unknown origin) protein-protein interactionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetKelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2(Human)
China Pharmaceutical University

US Patent
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataIC50: 81nMAssay Description:The instrument used in the FP experiment was the SpectraMax Multi-Mode Microplate Reader (Molecular Devices), and the excitation and emission wavelen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415702(US10442759, Compound I-14)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed