BDBM25896 EMD 486019::[2-(cycloheptylmethyl)-1,1-dioxo--benzothiophen-6-yl] sulfamate
SMILES: NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1
InChI Key: InChIKey=BIASYWBGUYOWJR-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)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 13 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 13 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | PDB Article PubMed | 14 | -10.7 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 18 | -10.6 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 18 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 19 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIII (Mus musculus (mouse)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 66 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 654 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 682 | -8.41 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 842 | -8.28 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 3.60E+3 | -7.42 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem | Article PubMed | 7.40E+5 | -4.27 | 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: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1 | |||||||||||
More data for this Ligand-Target Pair |