BDBM50553582 CHEMBL4752644

SMILES c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F)C#N)C(=O)C5CCC(CC5)C(=O)O

InChI Key InChIKey=SHXNYZOAPQIDHP-UHFFFAOYSA-N

Data  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50553582   

TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50553582(CHEMBL4752644)
Affinity DataEC50:  17nMAssay Description:Inverse agonist activity at Gal4-fused RORgammat (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50553582(CHEMBL4752644)
Affinity DataEC50:  13nMAssay 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:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)