BDBM50502393 CHEMBL4562895

SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key InChIKey=HJJYGXDBXQAVQG-QGZVFWFLSA-N

Data  14 IC50

PDB links: 1 PDB ID matches this monomer.

  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 14 hits for monomerid = 50502393   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50:  32nMAssay Description:Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL-17A secretion incubated for 4 days by HTRF assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50:  50nMAssay Description:Displacement of tritiated 2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from human N-(HN)6-GST-TCS-RORC LBD (258 ...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50:  501nMAssay Description:Agonist activity at human His6-tcs-RORalpha LBD assessed as PGC1alpha peptide (130 to 154 residues) recruitment incubated for 1 hr by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Mus musculus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50:  126nMAssay Description:Displacement of tritiated 2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from mouse HN-AVI-GST-TCS-RORC (256 to 51...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50:  32nMAssay Description:Inverse agonist activity at human biotinylated HN-Avi-MBPS-TCS-RORC2 (258 to 518 residues) assessed as recruitment of SRC-1-derived coactivator measu...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Mus musculus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50:  120nMAssay 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
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
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 DepthDetails ArticlePubMed
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50502393(CHEMBL4562895)
Affinity DataIC50:  182nMAssay 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