BDBM50591479 CHEMBL5187164

SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1

InChI Key InChIKey=BJSIVXYQIGFUCG-UHFFFAOYSA-N

Data  11 IC50  1 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 12 hits for monomerid = 50591479   

TargetPeroxisome proliferator-activated receptor gamma(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataEC50:  9.60nMAssay Description:Inverse agonist activity at PPARgamma LBD (unknown origin) assessed as recruitment of corepressor NCOR2 to PPARgamma LBD by LanthaScreen TR-FRET assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 0.220nMAssay Description:Inverse agonist activity at PPARgamma in human RT112/84-FABP4 cells assessed as reduction in PPARgamma transactivation measured by Nanoluciferase rep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Mouse)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 24nMAssay Description:Inverse agonist activity at GAL4-tagged mouse PPARgamma LBD expressed in CHO cells measured after 6 hrs by firefly luciferase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 6.30nMAssay Description:Inverse agonist activity at GAL4-tagged human PPARgamma LBD expressed in CHO cells measured after 6 hrs by firefly luciferase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor alpha(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 7.50E+3nMAssay Description:Inverse agonist activity at GAL4-tagged human PPARalpha LBD expressed in CHO cells measured after 6 hrs by firefly luciferase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 9.00E+3nMAssay Description:Inverse agonist activity at GAL4-tagged human PPARdelta LBD expressed in CHO cells measured after 6 hrs by firefly luciferase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Broad Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM50591479(CHEMBL5187164)
Affinity DataIC50: 4.10E+4nMAssay Description:Inverse agonist activity at human PXR expressed in HepG2 cells measured by One-Glo luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed