BDBM50264007 CHEMBL489182::N-(2,4-Disulfamoyl-5-trifluoromethyl-phenyl)-2-(7-methoxy-2-oxo-2H-chromen-4-yl)-acetamide::N-(2,4-disulfamoyl-5-(trifluoromethyl)phenyl)-2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamide
SMILES: COc1ccc2c(CC(=O)Nc3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)cc(=O)oc2c1
InChI Key: InChIKey=NFLMNEBPJVSVBV-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 12 (Homo sapiens (Human)) | BDBM50264007 (CHEMBL489182 | N-(2,4-Disulfamoyl-5-trifluoromethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method | Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50264007 (CHEMBL489182 | N-(2,4-Disulfamoyl-5-trifluoromethy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method | Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50264007 (CHEMBL489182 | N-(2,4-Disulfamoyl-5-trifluoromethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method | Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50264007 (CHEMBL489182 | N-(2,4-Disulfamoyl-5-trifluoromethy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method | Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM | |||||||||||
More data for this Ligand-Target Pair |