BDBM50352646 CHEMBL1822702
SMILES: CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
InChI Key: InChIKey=AXVQXDKRGPCGGE-UHFFFAOYSA-N
Data: 13 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 XIV (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14.6 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19.4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 25.3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 91.7 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 427 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 463 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 692 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 814 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 955 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 996 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
beta-Carbonic Anhydrase (Candida albicans (Yeast)) | BDBM50352646 (CHEMBL1822702) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 8.3 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of Candida albicans carbonic anhydrase preincubated for 15 mins at pH 8.3 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 4 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM50352646 (CHEMBL1822702) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 3 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method | Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3 | |||||||||||
More data for this Ligand-Target Pair |