BDBM33282 CHEMBL171476::bis-sulfamate, 4
SMILES: NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O
InChI Key: InChIKey=XPDWKENHTJHZSC-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 9 (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 7 | 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 Inhibitory activity against membrane bound tumor associated human carbonic anhydrase IX | Bioorg Med Chem Lett 15: 579-84 (2005) Article DOI: 10.1016/j.bmcl.2004.11.058 BindingDB Entry DOI: 10.7270/Q2Z038XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 24.5 | -10.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 23 |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 24.5 | 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 Inhibitory activity against cytosolic human carbonic anhydrase II | Bioorg Med Chem Lett 15: 579-84 (2005) Article DOI: 10.1016/j.bmcl.2004.11.058 BindingDB Entry DOI: 10.7270/Q2Z038XV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 91.2 | -9.53 | n/a | n/a | n/a | n/a | n/a | 7.5 | 23 |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 92.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 852 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 890 | 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 Inhibitory activity against cytosolic human carbonic anhydrase I | Bioorg Med Chem Lett 15: 579-84 (2005) Article DOI: 10.1016/j.bmcl.2004.11.058 BindingDB Entry DOI: 10.7270/Q2Z038XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 890 | -8.19 | n/a | n/a | n/a | n/a | n/a | 7.5 | 23 |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIII (Mus musculus (mouse)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.21E+3 | -8.01 | n/a | n/a | n/a | n/a | n/a | 7.5 | 23 |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.37E+3 | -7.94 | n/a | n/a | n/a | n/a | n/a | 7.5 | 23 |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR | 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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR | |||||||||||
More data for this Ligand-Target Pair |