BDBM50126018 2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propylthio)phenyl)acetic acid::CHEMBL23296::{3-Chloro-4-[3-(7-propyl-3-trifluoromethyl-benzo[d]isoxazol-6-yloxy)-propylsulfanyl]-phenyl}-acetic acid::{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid

SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F

InChI Key InChIKey=TZBRFAASYWFUGK-UHFFFAOYSA-N

Data  17 IC50  13 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50126018   

TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  10nMAssay Description:In vitro binding affinity for human PPAR delta in SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  280nMAssay Description:Agonist activity at PPARalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  7.30E+3nMAssay Description:Activity at LXR beta as beta-lactamase transactivation in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  28nMAssay Description:Inhibition of LXR betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  5.90E+3nMAssay Description:Activity at LXR alpha as beta-lactamase transactivation in CHO cellsMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  16nMAssay Description:Agonist activity at human recombinant LXRbeta expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRbeta ligand ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  1.08E+3nMAssay Description:Effective concentration against liver X receptor-beta in HEK293 cell transactivation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  16nMAssay Description:Effective concentration for cofactor association with recombinant liver X receptor-betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  25nMAssay Description:Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  35nMAssay Description:Effective concentration for cofactor association with recombinant liver X receptor-alphaMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  1.79E+3nMAssay Description:Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  35nMAssay Description:Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  140nMAssay Description:In vitro binding affinity for human PPAR gamma in SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  5nMAssay Description:In vitro binding affinity for human PPAR gamma in SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  310nMAssay Description:In vitro binding affinity for human PPAR alpha in SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  23nMAssay Description:In vitro binding affinity for human PPAR delta in SPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  35nMAssay Description:Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligan...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  32nMAssay Description:Activity at LXR alpha as beta-lactamase transactivation in CHO cellsMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  280nMAssay Description:Inhibition of PPAR alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  195nMAssay Description:Inhibition of PPAR gammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  4nMAssay Description:Inhibition of PPAR deltaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  140nMAssay Description:Displacement of radio-labeled full agonist from PPARgamma receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  35nMAssay Description:Effective concentration for cofactor association with recombinant liver X receptor-alphaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  7.90nMAssay Description:Binding affinity at human GST-tagged PPARdelta ligand binding domain after 1 hr by time-resolved FRET analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  4nMAssay Description:Agonist activity at PPARdeltaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  195nMAssay Description:Agonist activity at PPARgammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  280nMAssay Description:Agonist activity at PPARalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  4nMAssay Description:Agonist activity at PPARdeltaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataIC50:  195nMAssay Description:Agonist activity at PPARgammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM50126018(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Affinity DataEC50:  125nMAssay Description:Transcriptional activation by human PPAR alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed