BDBM25900 2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)benzene-1-sulfonamide::Chlortalidone::Chlorthalidone::Chlorthalidone (1)::Hygroton::Phthalamudine::US10172837, Chlorthalidone
SMILES: NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12
InChI Key: InChIKey=JIVPVXMEBJLZRO-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 2.80 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 4.5 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 9 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIII (Mus musculus (mouse)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 15 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 23 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 138 | -9.35 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 196 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 348 | -8.80 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 917 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 1.35E+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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 4.13E+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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 4.50E+3 | -7.29 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Laboratoire Synthèse et Réactivité des Substances Naturelles | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ... | J Enzyme Inhib Med Chem 27: 886-91 (2012) Article DOI: 10.3109/14756366.2011.638921 BindingDB Entry DOI: 10.7270/Q2M0449D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 1.10E+4 | -6.76 | 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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 2.30E+4 | -6.32 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Laboratoire Synthèse et Réactivité des Substances Naturelles | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ... | J Enzyme Inhib Med Chem 27: 886-91 (2012) Article DOI: 10.3109/14756366.2011.638921 BindingDB Entry DOI: 10.7270/Q2M0449D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 1.38E+5 | -5.26 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Laboratoire Synthèse et Réactivité des Substances Naturelles | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ... | J Enzyme Inhib Med Chem 27: 886-91 (2012) Article DOI: 10.3109/14756366.2011.638921 BindingDB Entry DOI: 10.7270/Q2M0449D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | Article PubMed | 3.48E+5 | -4.71 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Laboratoire Synthèse et Réactivité des Substances Naturelles | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ... | J Enzyme Inhib Med Chem 27: 886-91 (2012) Article DOI: 10.3109/14756366.2011.638921 BindingDB Entry DOI: 10.7270/Q2M0449D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | US Patent | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Naia Metabolic, Inc. US Patent | Assay Description Compounds which are CAIs are well known in the art, see for example, Pastorekova et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 19(3), ... | US Patent US10172837 (2019) BindingDB Entry DOI: 10.7270/Q2VT1V5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair |