BDBM11625 2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiadiazole-2,5-disulfonamide::5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide::CHEMBL71611::aminobenzolamide 18
SMILES: Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
InChI Key: InChIKey=HOLJYLOVIHBQHO-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 2 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Universit£ Montpellier II Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5 | Bioorg Med Chem 19: 1172-8 (2011) Article DOI: 10.1016/j.bmc.2010.12.048 BindingDB Entry DOI: 10.7270/Q2C53M44 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem 20: 1403-10 (2012) Article DOI: 10.1016/j.bmc.2012.01.007 BindingDB Entry DOI: 10.7270/Q2VH5P89 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Agricultural Sciences and Veterinary Medicine | 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... | J Med Chem 46: 2187-96 (2003) Article DOI: 10.1021/jm021123s BindingDB Entry DOI: 10.7270/Q2XK8CR9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 13 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 14 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Universit£ Montpellier II Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase I by spectrophotometry at pH 7.5 | Bioorg Med Chem 19: 1172-8 (2011) Article DOI: 10.1016/j.bmc.2010.12.048 BindingDB Entry DOI: 10.7270/Q2C53M44 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem 20: 1403-10 (2012) Article DOI: 10.1016/j.bmc.2012.01.007 BindingDB Entry DOI: 10.7270/Q2VH5P89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Agricultural Sciences and Veterinary Medicine | 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... | J Med Chem 46: 2187-96 (2003) Article DOI: 10.1021/jm021123s BindingDB Entry DOI: 10.7270/Q2XK8CR9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Agricultural Sciences and Veterinary Medicine | 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... | J Med Chem 46: 2187-96 (2003) Article DOI: 10.1021/jm021123s BindingDB Entry DOI: 10.7270/Q2XK8CR9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Astrosclerin-3 (Astrosclera willeyana) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration... | Bioorg Med Chem 20: 1403-10 (2012) Article DOI: 10.1016/j.bmc.2012.01.007 BindingDB Entry DOI: 10.7270/Q2VH5P89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 7 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 4 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 5b after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 5a after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 15 (Mus musculus) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of mouse recombinant carbonic anhydrase 15 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Agricultural Sciences and Veterinary Medicine | 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... | J Med Chem 46: 2187-96 (2003) Article DOI: 10.1021/jm021123s BindingDB Entry DOI: 10.7270/Q2XK8CR9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 6 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Kochi Medical School Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assay | Bioorg Med Chem 19: 5023-30 (2011) Article DOI: 10.1016/j.bmc.2011.06.038 BindingDB Entry DOI: 10.7270/Q24T6JRW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Kochi Medical School Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assay | Bioorg Med Chem 19: 5023-30 (2011) Article DOI: 10.1016/j.bmc.2011.06.038 BindingDB Entry DOI: 10.7270/Q24T6JRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 3 after 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM11625 (2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 8.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kochi Medical School Curated by ChEMBL | Assay Description Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay | Bioorg Med Chem 15: 7229-36 (2007) Article DOI: 10.1016/j.bmc.2007.08.037 BindingDB Entry DOI: 10.7270/Q2TH8NJ9 | |||||||||||
More data for this Ligand-Target Pair |