BDBM253055 US9458171, 12

SMILES CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F

InChI Key InChIKey=LGFLFKROQCMBLV-UHFFFAOYSA-N

Data  1 IC50  6 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 253055   

TargetNuclear receptor ROR-gamma [262-507](Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM253055(US9458171, 12)
Affinity DataIC50: 44nMT: 2°CAssay Description:The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253055(US9458171, 12)
Affinity DataEC50:  4.93E+3nMAssay Description:Transactivation of PXR in human HepG2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253055(US9458171, 12)
Affinity DataEC50:  55nMAssay Description:Inverse agonist activity at GAL4-fused RORgammat LBD (267 to 516 residues) (unknown origin) expressed in human Jurkat cells measured after 18 hrs by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOxysterols receptor LXR-alpha(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253055(US9458171, 12)
Affinity DataEC50: >7.50E+3nMAssay Description:Agonist activity at LXRalpha (unknown origin) expressed in African green monkey CV1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetOxysterols receptor LXR-beta(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253055(US9458171, 12)
Affinity DataEC50: >7.50E+3nMAssay Description:Agonist activity at LXRbeta (unknown origin) expressed in African green monkey CV1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253055(US9458171, 12)
Affinity DataEC50:  55nMAssay Description:Inverse agonist activity at RORgammat in human Jurkat cells by Gal4 reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253055(US9458171, 12)
Affinity DataEC50:  4.93E+3nMAssay Description:Transactivation of PXR in human HepG2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed