BDBM50207446 2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl)acetic acid::CHEMBL404108

SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1

InChI Key InChIKey=KHPKQFYUPIUARC-UHFFFAOYSA-N

Data  1 KI  13 IC50

PDB links: 6 PDB IDs match 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 14 hits for monomerid = 50207446   

TargetProstaglandin G/H synthase 1(Human)
Institute For Chemical Biology and Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Institute For Chemical Biology and Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 7nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Human)
Institute For Chemical Biology and Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 60nMAssay Description:Inhibition of COX-2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Human)
Institute For Chemical Biology and Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 107nMAssay Description:Inhibition of human COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acidMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Human)
Institute For Chemical Biology and Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 130nMAssay Description:Inhibition of human COX2 mediated PGE2 production in IL-1-beta-induced human dermal fibroblast cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Human)
Institute For Chemical Biology and Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 140nMAssay Description:Inhibition of human COX2 mediated PGE2 production in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Institute For Chemical Biology and Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 7nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Institute For Chemical Biology and Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Mouse)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataIC50: 40nMAssay Description:Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G formation preincubated for 3 mins before 2-AG substrate addition measured ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Human)
Institute For Chemical Biology and Center In Molecular Toxicology

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Affinity DataKi:  320nMAssay Description:Inhibition of human COX2 preincubated before addition of [1-14C]arachidonic acidMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)