BDBM339252 US10201546, Example 126b

SMILES Cc1ncc(n1C)[C@](c2ccc3c(c2)c(c(c(n3)OC)CN4CCC(CC4)C(F)(F)F)Cl)(c5ccnc(c5)C(F)(F)F)O

InChI Key InChIKey=SXCAASBRTBWENF-UHFFFAOYSA-N

Data  2 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 339252   

TargetNuclear receptor ROR-gamma(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM339252(US10201546, Example 126b)
Affinity DataKd:  0.470nMAssay Description:ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM339252(US10201546, Example 126b)
Affinity DataIC50: 14nMAssay Description:A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM339252(US10201546, Example 126b)
Affinity DataIC50: 14nMAssay Description:Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM339252(US10201546, Example 126b)
Affinity DataKd:  0.5nMAssay Description:Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)