BDBM50106301 CHEMBL3598140

SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12

InChI Key InChIKey=DANLZOIRUUHIIX-UHFFFAOYSA-N

Data  3 KI  23 IC50  1 Kd  8 EC50

PDB links: 7 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50106301   

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataKi:  160nMAssay Description:Binding affinity to PPARgamma LBD (unknown origin) assessed as inhibition constant in presence of 10 nM of rosiglitazone by HTRF based competitive bi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataKi:  210nMAssay Description:Binding affinity to PPARgamma LBD (unknown origin) assessed as inhibition constant by HTRF based competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataKi:  230nMAssay Description:Binding affinity to PPARgamma LBD (unknown origin) assessed as inhibition constant in presence of 1 uM of rosiglitazone by HTRF based competitive bin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  127nMAssay Description:Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  7.80nMAssay Description:Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  9.40nMAssay Description:Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  13nMAssay Description:Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  7.20E+3nMAssay Description:Inverse agonist activity at His6-tagged PPARgamma LBD (unknown origin) assessed as inhibition of rosiglitazone-induced N-terminal biotinylated co-act...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  17nMAssay Description:Displacement of Alexa647-labeled MRL-87 from human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  7.80nMAssay Description:Inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inh...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  17nMAssay Description:Allosteric inverse agonist activity at recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Es...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  5.5nMAssay Description:Allosteric inverse agonist activity at 2-chloro-5-nitro-N-o-tolylbenzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  5.5nMAssay Description:Allosteric inverse agonist activity at 2-chloro-N-(2,6-dimethylphenyl)-5-nitrobenzamide-ligated recombinant human N-terminal His6-tagged RORgammat li...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  1.30nMAssay Description:Allosteric inverse agonist activity at 2-chloro-5-nitro-N-(2-(trifluoromethyl)phenyl)benzamide-ligated recombinant human N-terminal His6-tagged RORga...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  6nMAssay Description:Inhibition of His6-tagged human RORgammat LBD expressed in Escherichia coli BL21(DE3) cells after 16 hrs by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  40nMAssay Description:Inhibition of RORgammat in human PBMC by IL17A assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataKd:  250nMAssay Description:Binding affinity to PPARgamma LBD (unknown origin) assessed as dissociation constant followed by heating for 3 mins by Bradford assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataEC50:  170nMAssay Description:Partial agonist activity at PPARgamma LBD (unknown origin) assessed as increase in FITC-labeled PGC-1alpha coactivator peptide recruitment by HTRF as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataEC50:  230nMAssay Description:Binding affinity to PPARgamma LBD (unknown origin) using FITC-labeled PGC-1alpha peptide in presence of 10 nM of rosiglitazone by HTRF based competit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataEC50:  9.10E+3nMAssay Description:Binding affinity to PPARgamma LBD (unknown origin) using FITC-labeled PGC-1alpha peptide in presence of 1 uM of rosiglitazone by HTRF based competiti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataEC50:  1.30E+3nMAssay Description:Partial agonist activity at PPARgamma LBD (unknown origin) assessed as increase in FITC-labeled PGC-1alpha coactivator peptide recruitment in presenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataEC50:  4.70nMAssay Description:Partial agonist activity at RORgammat (unknown origin) assessed as increase in FITC-labeled SRC1B2 peptide recruitment by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  6.30E+3nMAssay Description:Inverse agonist activity at His6-tagged PPARgamma LBD (unknown origin) assessed as N-terminal biotinylated PGC1a coactivator peptide recruitment in p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataEC50:  340nMAssay Description:Inverse agonist activity at His6-tagged PPARgamma LBD (unknown origin) assessed as N-terminal biotinylated PGC1a coactivator peptide recruitment by T...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  13nMAssay Description:Allosteric inverse agonist activity at C-terminal His-tagged RORgammat LBD (265 to 507 residues) (unknown origin) expressed in Escherichia coli BL21(...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  7nMAssay Description:Displacement of Alexa flour647-labeled MRL-871 from RORgammat LBD (265 to 507 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cell...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataEC50:  16nMAssay Description:Inverse agonist activity at RORC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  130nMAssay Description:Inverse agonist activity at human PPARgammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  425nMAssay Description:Inhibition of RORgammat (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  7nMAssay Description:Inverse agonist activity at His6-tagged human RORgammat LBD expressed in Escherichia coli BL21(DE3) assessed as decrease in SRC-1 recruitment using B...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  7nMAssay Description:Compound was evaluated for the inhibition of Escherichia coli Thymidylate SynthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  2nMAssay Description:Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  6.10nMAssay Description:Inhibition of human GAL4-fused RORgammat LBD transfected in Escherichia coli BL21(DE3) cell measured after 16 hrs by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPeroxisome proliferator-activated receptor gamma(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataIC50:  130nMAssay Description:Displacement of fluormone PPARgamma green from GST-tagged human PPARgamma-LBD after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor ROR-gamma(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50106301(CHEMBL3598140)
Affinity DataEC50:  16nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)