BDBM339379 US10201546, Example 222

SMILES CCc1nc2ccc(cc2c(Cl)c1OCC1CC1)C(O)(C1CN(C1)C(C)=O)c1cnnn1C

InChI Key InChIKey=MSXKYUAZLPVWIB-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 339379   

TargetNuclear receptor ROR-gamma(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM339379(US10201546, Example 222)
Affinity DataKd:  310nMAssay 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
US Patent

TargetNuclear receptor ROR-gamma(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM339379(US10201546, Example 222)
Affinity DataIC50: 460nMAssay 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
US Patent