BDBM382173 (1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)-7-(perfluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-3-carbonyl)cyclohexane-1-carboxylic acid::US10273259, Example 1::US10711020, Example 1

SMILES c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C5CCC(CC5)C(=O)O

InChI Key InChIKey=FEJZVGPREBSBIT-UHFFFAOYSA-N

Data  7 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 382173   

TargetNuclear receptor ROR-gamma(Mouse)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataIC50: 70nMAssay Description:The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma [262-507](Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataIC50: 70nMAssay Description:The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataEC50:  7nMAssay Description:Inverse agonist activity at full length human RORgammat expressed in human Jurkat cells assessed as inhibition of constitutive receptor activity incu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataIC50: 4.00E+4nMAssay Description:Activity at PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-alpha(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataEC50:  19nMAssay Description:Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as reduction in IL17A production incubated for 1 hr befor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOxysterols receptor LXR-alpha(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-beta(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at RORbeta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetOxysterols receptor LXR-beta(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataEC50:  7nMAssay Description:Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells assessed as inhibition of constitutive receptor activity measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM382173((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...)
Affinity DataEC50:  19nMAssay Description:Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as suppression of IL17 incubated for 1 hr before CD3 and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)