BDBM50541922 Bms-986251

SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F

InChI Key InChIKey=JQORWGARJVSRBA-UHFFFAOYSA-N

Data  6 IC50  11 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50541922   

TargetCytochrome P450 1A2(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50:  24nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50:  24nMAssay Description:Inverse agonist activity at RORgammat in human whole blood assessed as inhibition of anti-CD3/anti-CD28 monoclonal antibodies-stimulated IL-17A produ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50:  12nMAssay Description:Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C19(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C8(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of recombinant CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50:  12nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetOxysterols receptor LXR-beta(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50: >7.50E+3nMAssay Description:Inverse agonist activity at LXRbeta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOxysterols receptor LXR-alpha(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50: >7.50E+3nMAssay Description:Inverse agonist activity at LXRalpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50: >5.00E+3nMAssay Description:Inverse agonist activity at PXR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-gamma(Mouse)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50:  11nMAssay Description:Inverse agonist activity at RORgammat in mouse whole blood assessed as suppression of Th17 secretionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-beta(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at Gal4-fused RORbeta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-alpha(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at Gal4-fused RORalpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50541922(Bms-986251)
Affinity DataEC50:  24nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)