BDBM253135 US9458171, 95

SMILES c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F

InChI Key InChIKey=AVHWMAVUUHFRKE-UHFFFAOYSA-N

Data  8 IC50  8 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 253135   

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

US Patent
LigandPNGBDBM253135(US9458171, 95)
Affinity DataIC50: 49nMT: 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
LigandPNGBDBM253135(US9458171, 95)
Affinity DataEC50: >5.00E+4nMAssay 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
LigandPNGBDBM253135(US9458171, 95)
Affinity DataEC50:  119nMAssay 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)
TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataIC50: 680nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetOxysterols receptor LXR-alpha(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
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
TargetNuclear receptor ROR-gamma(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataIC50: 55nMAssay Description:Binding affinity to RORgammat LBD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOxysterols receptor LXR-beta(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
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-beta(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataEC50: >4.00E+4nMAssay Description:Inverse agonist activity at human Gal4-fused RORbeta LBD (200 to 559 residues) expressed in human Jurkat cells measured after 18 hrs by steady-glo lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetOxysterols receptor LXR-alpha(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataEC50: >7.50E+3nMAssay Description:Transactivation of human GAL4-fused LXRalpha expressed in African green monkey CV1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetOxysterols receptor LXR-beta(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataEC50: >7.50E+3nMAssay Description:Transactivation of human GAL4-fused LXRbeta expressed in African green monkey CV1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-alpha(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM253135(US9458171, 95)
Affinity DataEC50: >4.00E+4nMAssay Description:Inverse agonist activity at human Gal4-fused RORalpha LBD (272 to 556 residues) expressed in human Jurkat cells measured after 18 hrs by steady-glo l...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed