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BDBM26189 α-CA inhibitor, 13::1,3-Dihydroxybenzene, XII::1,3-dihydroxybenzene::CHEMBL24147::US9688816, 4::benzene-1,3-diol::phenol derivative, 3
SMILES: Oc1cccc(O)c1
InChI Key: InChIKey=GHMLBKRAJCXXBS-UHFFFAOYSA-N
PDB links: 17 PDB IDs match this monomer. 269 PDB IDs contain this monomer as substructures. 269 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Carbonic anhydrase (Dicentrarchus labrax) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | UniProtKB/TrEMBL GoogleScholar AffyNet  | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.42E+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 VB (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.70E+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 2 by stopped-flow CO2 hydrase assay | Bioorg Med Chem Lett 18: 3593-6 (2008) Article DOI: 10.1016/j.bmcl.2008.04.077 BindingDB Entry DOI: 10.7270/Q2XP75TC | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (docked) | ||||||||||||
| Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.70E+3 | -6.97 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
| Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AgriIbrahim£e£en University Curated by ChEMBL | Assay Description Inhibition of human erythrocytes CA2 using 4-nitrophenylacetate as substrate by esterase assay | Bioorg Med Chem Lett 25: 3261-3 (2015) BindingDB Entry DOI: 10.7270/Q2W37Z39 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
| Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
| Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic Anhydrase XIII (Mus musculus (mouse)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 3 (CA III) (Bos taurus (Cattle)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.96E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ege University | Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect... | J Enzyme Inhib Med Chem 28: 412-7 (2013) Article DOI: 10.3109/14756366.2011.651464 BindingDB Entry DOI: 10.7270/Q2W66JQ2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 3 (CA III) (Bos taurus (Cattle)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 15 (Mus musculus) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.85E+5 | 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 mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay | Bioorg Med Chem Lett 18: 3593-6 (2008) Article DOI: 10.1016/j.bmcl.2008.04.077 BindingDB Entry DOI: 10.7270/Q2XP75TC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.05E+5 | -4.39 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.34E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 7.95E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AgriIbrahim£e£en University Curated by ChEMBL | Assay Description Inhibition of human erythrocytes CA1 using 4-nitrophenylacetate as substrate by esterase assay | Bioorg Med Chem Lett 25: 3261-3 (2015) BindingDB Entry DOI: 10.7270/Q2W37Z39 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.95E+5 | -4.23 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.95E+5 | 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 1 by stopped-flow CO2 hydrase assay | Bioorg Med Chem Lett 18: 3593-6 (2008) Article DOI: 10.1016/j.bmcl.2008.04.077 BindingDB Entry DOI: 10.7270/Q2XP75TC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 8.28E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Procollagen-proline,2-oxoglutarate-4-dioxygenase (Gallus gallus (Chicken)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.02E+7 | 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 | |||||||||||||
| Estrogen receptor (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SABIC GLOBAL TECHNOLOGIES B.V. US Patent | Assay Description Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand... | US Patent US9688816 (2017) BindingDB Entry DOI: 10.7270/Q2WD3XR0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SABIC GLOBAL TECHNOLOGIES B.V. US Patent | Assay Description Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand... | US Patent US9688816 (2017) BindingDB Entry DOI: 10.7270/Q2WD3XR0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 8.69E+4 | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania School of Medicine Curated by ChEMBL | Assay Description Binding affinity to COX1 in sheep seminal vesicle | J Nat Prod 67: 1777-82 (2004) Article DOI: 10.1021/np0498410 BindingDB Entry DOI: 10.7270/Q2XD12JH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 6.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Murcia Curated by ChEMBL | Assay Description Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as diphenolase activity by spectrophotometric analysis | Bioorg Med Chem 24: 4434-4443 (2016) BindingDB Entry DOI: 10.7270/Q24F1SP6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.13E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Murcia Curated by ChEMBL | Assay Description Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as monophenolase activity by spectrophotometric analysis | Bioorg Med Chem 24: 4434-4443 (2016) BindingDB Entry DOI: 10.7270/Q24F1SP6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.44E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Cagliari Curated by ChEMBL | Assay Description Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanine | Bioorg Med Chem Lett 19: 36-9 (2008) Article DOI: 10.1016/j.bmcl.2008.11.020 BindingDB Entry DOI: 10.7270/Q2445MB2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tyrosinase (Homo sapiens (Human)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | n/a | n/a | >3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania School of Medicine Curated by ChEMBL | Assay Description Inhibition of cyclooxygenase activity of COX1 in sheep seminal vesicle in presence of 1 mM phenol by cyclooxygenase assay | J Nat Prod 67: 1777-82 (2004) Article DOI: 10.1021/np0498410 BindingDB Entry DOI: 10.7270/Q2XD12JH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM26189 (α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania School of Medicine Curated by ChEMBL | Assay Description Inhibition of peroxidase activity of COX1 in heep seminal vesicle by TMPD assay | J Nat Prod 67: 1777-82 (2004) Article DOI: 10.1021/np0498410 BindingDB Entry DOI: 10.7270/Q2XD12JH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|
BDBM36284 | BDBM26189 | PC cid PC sid | CHEBI KEGG MMDB PC cid PC sid PDB | -5.06 | n/a | n/a | 3.72 | 7 | 25 | |
University of Cambridge | J Phys Chem B 114: 8606-15 (2010) | |||||||||
