BDBM50147211 CHEMBL3765353
SMILES: NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
InChI Key: InChIKey=MFEYEMJHPUUNEY-UHFFFAOYSA-N
Data: 6 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 12 (Homo sapiens (Human)) | BDBM50147211 (CHEMBL3765353) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Egyptian Russian University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay | Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50147211 (CHEMBL3765353) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Egyptian Russian University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay | Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Candida glabrata) | BDBM50147211 (CHEMBL3765353) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bezmialem Vakif University Curated by ChEMBL | Assay Description Inhibition of recombinant Candida glabrata beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ... | Bioorg Med Chem 24: 1648-52 (2016) BindingDB Entry DOI: 10.7270/Q24Q7WW5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
beta-Carbonic Anhydrase (Candida albicans (Yeast)) | BDBM50147211 (CHEMBL3765353) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bezmialem Vakif University Curated by ChEMBL | Assay Description Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ... | Bioorg Med Chem 24: 1648-52 (2016) BindingDB Entry DOI: 10.7270/Q24Q7WW5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50147211 (CHEMBL3765353) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bezmialem Vakif University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 1648-52 (2016) BindingDB Entry DOI: 10.7270/Q24Q7WW5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50147211 (CHEMBL3765353) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 229 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bezmialem Vakif University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 1648-52 (2016) BindingDB Entry DOI: 10.7270/Q24Q7WW5 | |||||||||||
More data for this Ligand-Target Pair |