null
SMILES: COc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
InChI Key: InChIKey=XCFBYGHTZLADMA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50515510 (CHEMBL4547526) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University Curated by ChEMBL | Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111573 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50515510 (CHEMBL4547526) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University Curated by ChEMBL | Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111573 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50515510 (CHEMBL4547526) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University Curated by ChEMBL | Assay Description Inhibition of recombinant human CA12 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111573 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50515510 (CHEMBL4547526) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 457 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University Curated by ChEMBL | Assay Description Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111573 | |||||||||||
More data for this Ligand-Target Pair |