BDBM60918 5-Amino-2-hydroxy-benzoic acid::MESALAMINE::MLS001424012::SMR000145728::cid_4075

SMILES Nc1ccc(O)c(c1)C(O)=O

InChI Key InChIKey=KBOPZPXVLCULAV-UHFFFAOYSA-N

Data  1 KI  15 IC50

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 16 hits for monomerid = 60918   

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetProtein-arginine deiminase type-4(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 1.00E+7nMAssay Description:Inhibition of PAD4 by ABPP-based assayMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 3.81E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 2.06E+7nMAssay Description:Inhibition of TNFalpha (unknown origin)-induced adhesion of BCECF fluorescence-labeled human U937 cells to human HT-29 cells measured at 3 hrs post T...More data for this Ligand-Target Pair
Target2-Hydroxyacid oxidase 1(Mus musculus)
Universidad de Granada

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 7.80E+3nMAssay Description:Inhibition of mouse recombinant glycolate oxidase expressed in Escherichia coli using glycolate as substrate by sulfonated DCIP dye-based assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Mus musculus)TBA
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of mouse EGFR by liquid scintillation countingMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Influenza A virus A/WSN/1933(H1N1)) neuraminidase in the presence of 2'-(4-methyl-umbelliferyl)-alphaD-N-acetylneuraminic acid substrat...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 280nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 490nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Pusan National University

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 7.73E+3nMAssay Description:Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 7.53E+3nMAssay Description:Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...More data for this Ligand-Target Pair
TargetCystathionine gamma-lyase(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human CSE using L-Cys as the substrate by tandem well based HTS assayMore data for this Ligand-Target Pair
TargetCystine/glutamate transporter(Homo sapiens (Human))
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...More data for this Ligand-Target Pair