BDBM50552535 CHEMBL4796044

SMILES CC(C)c1cc(cnc1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)(=O)C)Cl

InChI Key InChIKey=CMWKFXBFRJPOBS-UHFFFAOYSA-N

Data  3 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50552535   

TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50552535(CHEMBL4796044)
Affinity DataEC50:  11nMAssay Description:Agonist activity at Gal4-fused RORgammat (unknown origin) expressed in Jurkat cells by reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50552535(CHEMBL4796044)
Affinity DataEC50:  45nMAssay Description:Agonist activity at RORgammat in human Whole blood assessed as increase in IL17 expression after 48 hrs by AlphaLISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Mouse)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50552535(CHEMBL4796044)
Affinity DataEC50:  30nMAssay Description:Agonist activity at RORgammat in C57/B6 mouse Th17 cells assessed as increase in IL17A expression after 96 hrs by AlphaLISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)