BDBM392136 US10301272, Example 14/6

SMILES CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12

InChI Key InChIKey=JFBZAEQCYPRNMQ-MEMLXQNLSA-N

Data  3 IC50  2 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 5 hits for monomerid = 392136   

TargetIsoform 2 of Nuclear receptor ROR-gamma (RORgT)(Homo sapiens (Human))
Phenex Pharmaceuticals

US Patent
LigandPNGBDBM392136(US10301272, Example 14/6)
Affinity DataIC50:  1nMAssay Description:Cells were incubated for additional 16 h before firefly (FF) luciferase activities were measured sequentially in the same cell extract using a Dual-L...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsoform 2 of Nuclear receptor ROR-gamma (RORgT)(Homo sapiens (Human))
Phenex Pharmaceuticals

US Patent
LigandPNGBDBM392136(US10301272, Example 14/6)
Affinity DataIC50:  1nMAssay Description:Cells were incubated for additional 16 h before renilla (REN) luciferase activities were measured sequentially in the same cell extract using a Dual-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392136(US10301272, Example 14/6)
Affinity DataKd:  0.0770nMAssay Description:Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392136(US10301272, Example 14/6)
Affinity DataIC50:  0.710nMAssay Description:Inverse agonist activity at human GAL4 DBD-fused RORgammat LBD (237 to 497 residues) expressed in HEK293T cells assessed as reduction in ROR mediated...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392136(US10301272, Example 14/6)
Affinity DataKd:  240nMAssay Description:Binding affinity to recombinant human RORbeta LBD (201 to 452 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermofluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed