BDBM25897 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide::BMCL182567 Compound 6b::Diuredemina::Glomerulin::Hydroflumethiazide::cid_3647
SMILES: NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F
InChI Key: InChIKey=DMDGGSIALPNSEE-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 12 (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | 305 | 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)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 360 | 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)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | 412 | 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)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 429 | 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 7 (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 433 | 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)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | 435 | -8.67 | 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 (docked) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | 2.84E+3 | -7.56 | 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 4 (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank Article PubMed | 4.78E+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 6 (CA-VI) (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 8.25E+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 VA (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 1.02E+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 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)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 1.54E+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 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 III (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | >2.00E+5 | >-5.04 | 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 | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB 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 | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB 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 | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB 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 | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+6 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB 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 | |||||||||||||
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human)) | BDBM25897 (1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | PCBioAssay | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RJ4GWX | |||||||||||
More data for this Ligand-Target Pair |