BDBM50336487 3,4-Dimethoxy-benzoic acid::3,4-dimethoxybenzoic acid::CHEMBL118903
SMILES: COc1ccc(cc1OC)C(O)=O
InChI Key: InChIKey=DAUAQNGYDSHRET-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 XIV (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 740 | 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 2 (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.18E+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 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 | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University Curated by ChEMBL | Assay Description Inhibition of human CA4 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis | Eur J Med Chem 54: 423-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.025 BindingDB Entry DOI: 10.7270/Q2WS8V91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.70E+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 1 (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.83E+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 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 7 (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.15E+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 | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 8.25E+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 6 (CA-VI) (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University Curated by ChEMBL | Assay Description Inhibition of human CA6 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis | Eur J Med Chem 54: 423-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.025 BindingDB Entry DOI: 10.7270/Q2WS8V91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL 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 |
Kinki University Curated by ChEMBL | Assay Description Inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for 10 mins followed by enzyme addition measured after 20 mins by microp... | Bioorg Med Chem Lett 23: 6580-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.066 BindingDB Entry DOI: 10.7270/Q2QZ2DW5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Kinki University | Assay Description α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)... | J Enzyme Inhib Med Chem 28: 1162-70 (2013) Article DOI: 10.3109/14756366.2012.719503 BindingDB Entry DOI: 10.7270/Q22F7MCR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thiopurine S-methyltransferase (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of purified human kidney thiopurine methyltransferase (TPMT) | J Med Chem 29: 354-8 (1986) BindingDB Entry DOI: 10.7270/Q2445NPZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-(1,3)-fucosyltransferase VII (Homo sapiens (Human)) | BDBM50336487 (3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering Plough Research Institute | Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m... | Arch Biochem Biophys 425: 51-7 (2004) Article DOI: 10.1016/j.abb.2004.02.039 BindingDB Entry DOI: 10.7270/Q20C4TCS | |||||||||||
More data for this Ligand-Target Pair |