BDBM282572 (R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy- 1,1-dioxido-2,3-dihydrobenzo[b]thiophen-5-yl)oxy)- 5-fluorobenzonitrile::US9884843, Compound 3::US9884843, Compound 43

SMILES c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O

InChI Key InChIKey=HZDKYXAZAPXCKQ-UHFFFAOYSA-N

Data  9 IC50  5 EC50

PDB links: 1 PDB ID matches this monomer.

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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 = 282572   

TargetVascular endothelial growth factor A(Human)
Peloton Therapeutics

US Patent
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataIC50: 5nMpH: 7.5Assay Description:The total assay volume was about 100 μL in the following configuration: 2-μL compound in DMSO, 88 μL buffer with protein and probe and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2019
Entry Details
Go to US Patent

TargetVascular endothelial growth factor A(Human)
Peloton Therapeutics

US Patent
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataIC50: 5nMpH: 7.5Assay Description:The total assay volume was about 100 μL in the following configuration: 2-μL compound in DMSO, 88 μL buffer with protein and probe and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2019
Entry Details
Go to US Patent

TargetVascular endothelial growth factor A(Human)
Peloton Therapeutics

US Patent
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataEC50:  62nMAssay Description:About 7500 of 786-O cells in 180 μL of growth medium were seeded into each well of a 96 well plate with white clear bottom on the first day (07-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2019
Entry Details
Go to US Patent

TargetVascular endothelial growth factor A(Human)
Peloton Therapeutics

US Patent
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataEC50:  9nMAssay Description:About 7500 of 786-O cells in 180 μL of growth medium were seeded into each well of a 96 well plate with white clear bottom on the first day (07-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2019
Entry Details
Go to US Patent

TargetEndothelial PAS domain-containing protein 1(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataEC50:  10nMAssay Description:Antagonist activity at HIF-2alpha in human 786-O cells co-expressing HIF responsive element after 24 hrs by ONE-Glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndothelial PAS domain-containing protein 1(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataEC50:  145nMAssay Description:Antagonist activity at HIF-2alpha in human 786-O cells assessed as free plasma adjusted EC50 for reduction in VEGFA concentration after 24 hrs by ELI...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndothelial PAS domain-containing protein 1(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataIC50: 5nMAssay Description:Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndothelial PAS domain-containing protein 1(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataEC50:  16nMAssay Description:Antagonist activity at HIF-2alpha in human 786-O cells assessed as reduction in VEGFA concentration after 24 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of of CYP1A2 in human liver microsomes using phenacetin after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of of CYP2B6 in human liver microsomes using bupropion as substrate after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of of CYP2C8 in human liver microsomes using amodiaquine as substrate after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataIC50: 1.57E+4nMAssay Description:Inhibition of of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Peloton Therapeutics

Curated by ChEMBL
LigandPNGBDBM282572((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Affinity DataIC50: 1.33E+4nMAssay Description:Inhibition of of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed