BindingDB PrimarySearch

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 14 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 60918
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 by ABPP-based assay				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+7	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay 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...				Bioorg Med Chem Lett 28: 2436-2441 (2018) Article DOI: 10.1016/j.bmcl.2018.06.012 BindingDB Entry DOI: 10.7270/Q2W66P8W
Yeungnam University Curated by ChEMBL					More data for this Ligand-Target Pair
2-Hydroxyacid oxidase 1 (Mus musculus)	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of mouse recombinant glycolate oxidase expressed in Escherichia coli using glycolate as substrate by sulfonated DCIP dye-based assay				J Med Chem 61: 7144-7167 (2018) Article DOI: 10.1021/acs.jmedchem.8b00399 BindingDB Entry DOI: 10.7270/Q23B62SD
Universidad de Granada Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse EGFR by liquid scintillation counting				Citation and Details Article DOI: 10.1021/np50066a009 BindingDB Entry DOI: 10.7270/Q2BP05JV
TBA					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1)) neuraminidase in the presence of 2'-(4-methyl-umbelliferyl)-alphaD-N-acetylneuraminic acid substrat...				J Med Chem 55: 8493-501 (2012) Article DOI: 10.1021/jm3009844 BindingDB Entry DOI: 10.7270/Q21V5HTD
National Taiwan University Curated by ChEMBL					More data for this Ligand-Target Pair
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Chaperonin GroEL (Escherichia coli)	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pusan National University Curated by ChEMBL					Assay 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...				Eur J Med Chem 180: 86-98 (2019) Article DOI: 10.1016/j.ejmech.2019.07.016
Pusan National University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	7.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pusan National University Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...				Eur J Med Chem 180: 86-98 (2019) Article DOI: 10.1016/j.ejmech.2019.07.016
Pusan National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cystathionine gamma-lyase (Homo sapiens (Human))	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars		n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cystine/glutamate transporter (Homo sapiens (Human))	BDBM60918 (5-Amino-2-hydroxy-benzoic acid \| MESALAMINE \| MLS0...) Show SMILES Nc1ccc(O)c(c1)C(O)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay 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...				Bioorg Med Chem Lett 21: 6184-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.081 BindingDB Entry DOI: 10.7270/Q21V5FCR
Johns Hopkins University Curated by ChEMBL					More data for this Ligand-Target Pair