null
SMILES: O=C1NS(=O)(=O)c2ccccc12
InChI Key: InChIKey=CVHZOJJKTDOEJC-UHFFFAOYSA-N
PDB links: 8 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 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 1 (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | PDB MMDB NCI pathway 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 | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Bioscienze e Biorisorse Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure... | Bioorg Med Chem Lett 27: 490-495 (2017) Article DOI: 10.1016/j.bmcl.2016.12.035 BindingDB Entry DOI: 10.7270/Q2PN97XS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | PDB MMDB NCI pathway 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 | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay | J Med Chem 56: 1761-71 (2013) Article DOI: 10.1021/jm4000616 BindingDB Entry DOI: 10.7270/Q2CF9RFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | PDB MMDB NCI pathway 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 | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agri Ibrahim Cecen University Curated by ChEMBL | Assay Description Inhibition of human esterase activity of carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis | Bioorg Med Chem 21: 1522-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.018 BindingDB Entry DOI: 10.7270/Q2NG4S0C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | PDB MMDB NCI pathway 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 | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MC-98000 Princ Curated by ChEMBL | Assay Description Inhibition of human recombinant CA1 by stopped-flow CO2 assay | Bioorg Med Chem 17: 5054-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.063 BindingDB Entry DOI: 10.7270/Q2FJ2HQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | PDB MMDB NCI pathway 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 | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Balikesir University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay | Bioorg Med Chem 17: 1158-63 (2009) Article DOI: 10.1016/j.bmc.2008.12.035 BindingDB Entry DOI: 10.7270/Q2FB53WW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | PDB MMDB NCI pathway 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 | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biochimica delle Proteine-CNR Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay | J Med Chem 55: 10742-8 (2012) Article DOI: 10.1021/jm301611m BindingDB Entry DOI: 10.7270/Q2PR7X5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | PDB MMDB NCI pathway 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 | >2.00E+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 recombinant human carbonic anhydrase 1 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-f... | J Med Chem 61: 1176-1181 (2018) Article DOI: 10.1021/acs.jmedchem.7b01470 BindingDB Entry DOI: 10.7270/Q2MG7RXW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite 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 17: 4503-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.002 BindingDB Entry DOI: 10.7270/Q24X564B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 3 (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | 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 | 1.00E+6 | 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 | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | 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 | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Boston Curated by ChEMBL | Assay Description Inhibition of BuChE (unknown origin) assessed as reduction in S-butyrylthiocholine chloride hydrolysis after 15 mins by Ellman method | Bioorg Med Chem Lett 25: 626-30 (2015) Article DOI: 10.1016/j.bmcl.2014.12.006 BindingDB Entry DOI: 10.7270/Q2RX9DQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human)) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | PDB 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 | >5.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells | J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RmtA (Emericella nidulans) | BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL | Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells | J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV | |||||||||||
More data for this Ligand-Target Pair |
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