BDBM50271674 CHEMBL4129790

SMILES CC[C@H](NC(=O)c1cc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc(C2(C)CC2)c1)C(F)(F)F

InChI Key InChIKey=FPEPDZZKOGUYFO-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 50271674   

TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50271674BDBM50271674(CHEMBL4129790)
Affinity DataKd:  3.30nMAssay 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
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50271674BDBM50271674(CHEMBL4129790)
Affinity DataIC50: 4.70nMAssay 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
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50271674BDBM50271674(CHEMBL4129790)
Affinity DataKd:  14nMAssay 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
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50271674BDBM50271674(CHEMBL4129790)
Affinity DataIC50: 16nMAssay Description:Inverse agonist activity at human GAL4 DBD-fused RORbeta LBD (201 to 452 residues) expressed in HEK293T cells assessed as reduction in ROR mediated t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed