BDBM60995 BDBM50401535::CNO-::fulminate ion
SMILES: [O-][N+]#[C-]
InChI Key: InChIKey=USXDFAGDIOXNML-UHFFFAOYSA-N
Data: 16 KI
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)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 700 | 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 Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 7142-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.065 BindingDB Entry DOI: 10.7270/Q2930VB8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 700 | -8.25 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Universit£ degli Studi di Firenze | Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay | Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Bioscienze e Biorisorse (IBBR)-CNR Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem Lett 24: 4389-96 (2014) Article DOI: 10.1016/j.bmcl.2014.08.015 BindingDB Entry DOI: 10.7270/Q28054D1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.00E+4 | 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 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem Lett 24: 4402-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.014 BindingDB Entry DOI: 10.7270/Q2348N4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Bioscienze e Biorisorse (IBBR)-CNR Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem Lett 24: 4389-96 (2014) Article DOI: 10.1016/j.bmcl.2014.08.015 BindingDB Entry DOI: 10.7270/Q28054D1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Bioscienze e Biorisorse, CNR Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration incubated for 15 mins prior to testing by stopped flow C... | Bioorg Med Chem 25: 2010-2015 (2017) BindingDB Entry DOI: 10.7270/Q2JD5012 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini Curated by ChEMBL | Assay Description Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 23: 1626-30 (2013) Article DOI: 10.1016/j.bmcl.2013.01.087 BindingDB Entry DOI: 10.7270/Q23X8806 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.00E+4 | -6.06 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Universit£ degli Studi di Firenze | Assay Description Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay | Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.00E+4 | 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 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 22: 7142-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.065 BindingDB Entry DOI: 10.7270/Q2930VB8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-carbonic anhydrase (Vibrio cholerae) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 7.50E+4 | -5.53 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Universit£ degli Studi di Firenze | Assay Description Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay | Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-carbonic anhydrase (Methanosarcina thermophila) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 9.00E+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 Methanosarcina thermophila recombinant gamma-CA by CO2 hydration assay | Bioorg Med Chem Lett 23: 4067-71 (2013) Article DOI: 10.1016/j.bmcl.2013.05.063 BindingDB Entry DOI: 10.7270/Q2HX1F27 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
β-Carbonic anhydrase (βCA) (Helicobacter pylori) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.70E+5 | -4.68 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Università degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy... | J Enzyme Inhib Med Chem 28: 388-91 (2013) Article DOI: 10.3109/14756366.2011.649268 BindingDB Entry DOI: 10.7270/Q2S75F7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-carbonic anhydrase (Helicobacter pylori (strain G27)) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 6.00E+5 | -4.32 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Universit£ degli Studi di Firenze | Assay Description Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay | Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
α-Carbonic anhydrase (αCA) (Helicobacter pylori) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 6.00E+5 | -4.39 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Università degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy... | J Enzyme Inhib Med Chem 28: 388-91 (2013) Article DOI: 10.3109/14756366.2011.649268 BindingDB Entry DOI: 10.7270/Q2S75F7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-carbonic anhydrase (Vibrio cholerae) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.60E+6 | -3.46 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Universit£ degli Studi di Firenze | Assay Description Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C... | Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-carbonic anhydrase (Vibrio cholerae) | BDBM60995 (BDBM50401535 | CNO- | fulminate ion) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 7.10E+6 | -2.88 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Universit£ degli Studi di Firenze | Assay Description Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay | Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B | |||||||||||
More data for this Ligand-Target Pair |