BDBM50180249 CHEMBL3814487
SMILES: NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)[N+]([O-])=O)s1
InChI Key: InChIKey=XGAOILXUBFKZJF-UHFFFAOYSA-N
Data: 4 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 7 (Homo sapiens (Human)) | BDBM50180249 (CHEMBL3814487) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50180249 (CHEMBL3814487) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50180249 (CHEMBL3814487) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA4 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50180249 (CHEMBL3814487) | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD | |||||||||||
More data for this Ligand-Target Pair |