BDBM16111 2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid::Biphenyl-4-ylcarbamoyl Cyclopentene Analog 2::CHEMBL197194::US20240199535, Example 6::US20250066290, Example vidofludimus

SMILES COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1

InChI Key InChIKey=XPRDUGXOWVXZLL-UHFFFAOYSA-N

Data  6 KI  9 IC50  3 Kd  16 EC50

  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 34 hits for monomerid = 16111   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataIC50: 610nMAssay Description:Inhibition of human recombinant DHODH by colorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataIC50: 554nMAssay Description:The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239....More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/29/2025
Entry Details
Go to US Patent

TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Northeast Agricultural University

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataKd:  3.40nMAssay Description:Binding affinity to Escherichia coli NDM-1 assessed as equilibrium dissociation constant measured for 60 sec by bio-layer interferometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Northeast Agricultural University

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataIC50: 1.38E+4nMAssay Description:Inhibition of Escherichia coli NDM-1 expressed in Escherichia coli BL21 (DE3) using nitrocefin as substrate by microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataKd:  700nMAssay Description:Binding affinity to Nurr1-LBD (unknown origin) by Isothermal titration colorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human RXRalpha-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetBile acid receptor(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human FXR-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetVitamin D3 receptor(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human VDR-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human PPARgamma-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetPeroxisome proliferator-activated receptor alpha(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human PPARalpha-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetRetinoic acid receptor alpha(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human RARalpha-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetThyroid hormone receptor alpha(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human THRalpha-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 4 group A member 3(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50:  2.90E+3nMAssay Description:Agonist activity at NOR1 (unknown origin) by Gal4 hybrid reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 4 group A member 1(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50:  3.10E+3nMAssay Description:Agonist activity at Nur77 (unknown origin) by Gal4 hybrid reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataIC50: 400nMAssay Description:Inhibition of human recombinant DHODH by colorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataIC50: 134nMpH: 8.0 T: 2°CAssay Description:The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2007
Entry Details Article
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50:  300nMAssay Description:Agonist activity at full length human Nurr1 transfected in HEK293T cells co-transfected with pFR-Luc-NRBE assessed as luciferase activity incubated f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataIC50: 134nMAssay Description:Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50:  2.80E+3nMAssay Description:Inhibition of DHODH in human HEK-293 cells transfected with ISRE-luciferase reporter gene assessed as increase in IFN-alpha mediated cellular respons...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50:  2.75E+3nMAssay Description:Inhibition of DHODH in human HEK-293 cells transfected with ISRE-luciferase reporter gene assessed as increase in IFN-alpha mediated cellular respons...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetBifunctional peptidase and (3S)-lysyl hydroxylase JMJD7(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataIC50: 7.16E+3nMAssay Description:Inhibition of N-terminal His-tagged human JMJD7 (1 to 316 residues) expressed in Escherichia coli BL21 (DE3) luciferase based succinate-gloTM JmjC de...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataIC50: 134nMAssay Description:Inhibition of human DHODH using dihydroorotate substrate by DCIP dye based spectrophotometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50:  400nMAssay Description:Agonist activity at human Nurr1 transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40/pFA-CMV-hNurr1-LBD assessed as luciferase activity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50:  79nMAssay Description:Agonist activity at human Nurr1-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measurin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataKd:  700nMAssay Description:Binding affinity to recombinant N-terminal His6-tagged human Nurr1 LBD (362 to 598 residues) expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by ITC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetBile acid receptor(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50:  450nMAssay Description:Agonist activity at FXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataIC50: 2.32E+5nMAssay Description:Inhibition of human DHODH using DHO and CoQ10 as substrate preincubated for 30 mins in presence of CoQ10 followed by DHO substrate addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataEC50:  400nMAssay Description:Agonist activity at human Nurr1-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measurin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataKi:  245nMAssay Description:The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239....More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2025
Entry Details
Go to US Patent

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataKi:  521nMAssay Description:The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239....More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2024
Entry Details
Go to US Patent

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataKi:  524nMAssay Description:The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239....More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2024
Entry Details
Go to US Patent

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataKi:  570nMAssay Description:The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239....More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2024
Entry Details
Go to US Patent

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataKi:  592nMAssay Description:The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239....More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2024
Entry Details
Go to US Patent

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Ludwig Maximilian University of Munich

Curated by ChEMBL
LigandPNGBDBM16111(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Affinity DataKi:  592nMAssay Description:The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239....More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2025
Entry Details
Go to US Patent