BDBM50336490 3,5-DIHYDROXYBENZOATE::3,5-Dihydroxy-benzoic acid::3,5-Dihydroxybenzoate, IX::3,5-dihydroxybenzoic acid::3,5-dihydroxybenzoicacid::CHEMBL95308
SMILES: OC(=O)c1cc(O)cc(O)c1
InChI Key: InChIKey=UYEMGAFJOZZIFP-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Calgary Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Calgary Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1564-9 (2013) Article DOI: 10.1016/j.bmc.2012.05.019 BindingDB Entry DOI: 10.7270/Q29888CF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Dicentrarchus labrax) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gumushane University Curated by ChEMBL | Assay Description Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay | Bioorg Med Chem Lett 21: 4259-62 (2011) Article DOI: 10.1016/j.bmcl.2011.05.071 BindingDB Entry DOI: 10.7270/Q2PC32Q0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Calgary Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Calgary Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1564-9 (2013) Article DOI: 10.1016/j.bmc.2012.05.019 BindingDB Entry DOI: 10.7270/Q29888CF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procollagen-proline,2-oxoglutarate-4-dioxygenase (Gallus gallus (Chicken)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 9.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu | Assay Description Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase. | J Biol Chem 261: 7819-23 (1986) BindingDB Entry DOI: 10.7270/Q2SJ1J6Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at human recombinant GPR109a transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay | ACS Med Chem Lett 3: 637-639 (2012) Article DOI: 10.1021/ml3000676 BindingDB Entry DOI: 10.7270/Q27945RB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.77E+5 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay | ACS Med Chem Lett 3: 637-639 (2012) Article DOI: 10.1021/ml3000676 BindingDB Entry DOI: 10.7270/Q27945RB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Toll-like receptor 2 (Mus musculus) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.17E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Medical University Curated by ChEMBL | Assay Description Antagonist activity at TLR2 in mouse RAW264.7 cells assessed as PAM3CSK4-induced NO production measured after 24 hrs by Griess assay | Eur J Med Chem 179: 233-245 (2019) Article DOI: 10.1016/j.ejmech.2019.06.059 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50336490 (3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant PTP1B expressed in CHO cells assessed as p-nitorphenol production after 2 mins by microplate reader | Eur J Med Chem 46: 4212-8 (2011) Article DOI: 10.1016/j.ejmech.2011.06.025 BindingDB Entry DOI: 10.7270/Q2FT8MDS | |||||||||||
More data for this Ligand-Target Pair |