BDBM50575029 CHEMBL4864604

SMILES CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(C)(=O)=O

InChI Key InChIKey=QYYZXEPEVBXNNA-UHFFFAOYSA-N

Data  12 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50575029   

TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 41nMAssay Description:Inverse agonist activity at human RORC2 assessed as inhibition of SRC1-derived coactivator peptide by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 73nMAssay Description:Inverse agonist activity at human RORC ligand binding domain incubated for 30 mins by scintillation proximity binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Mouse)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 84nMAssay Description:Inverse agonist activity at mouse RORC ligand binding domain incubated for 30 mins by scintillation proximity binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-alpha(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 1.00E+4nMAssay Description:Agonist activity at human RORA assessed as recruitment of PGC1alpha (130 to 154) coactivator peptide by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetNuclear receptor ROR-beta(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 1.00E+4nMAssay Description:Agonist activity at human RORB assessed as recruitment of PGC1alpha (130 to 154) coactivator peptide by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50575029(CHEMBL4864604)
Affinity DataIC50: 40nMAssay Description:Inhibition of human RORgamma by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMedPDB3D3D Structure (crystal)