BDBM50097303 CHEMBL346691::{{2-[Carboxymethyl-(2-{carboxymethyl-[2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethoxycarbonylmethyl]-amino}-ethyl)-amino]-ethyl}-[2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethoxycarbonylmethyl]-amino}-acetic acid
SMILES: NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)OCCOc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc2s1
InChI Key: InChIKey=ZZLLLCNRSQXFHU-UHFFFAOYSA-N
Data: 3 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 2 (Homo sapiens (Human)) | BDBM50097303 (CHEMBL346691 | {{2-[Carboxymethyl-(2-{carboxymethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi Curated by ChEMBL | Assay Description Inhibition of cloned isozyme, human carbonic anhydrase II | Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50097303 (CHEMBL346691 | {{2-[Carboxymethyl-(2-{carboxymethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi Curated by ChEMBL | Assay Description Inhibition of cloned isozyme, human carbonic anhydrase IV | Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50097303 (CHEMBL346691 | {{2-[Carboxymethyl-(2-{carboxymethy...) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi Curated by ChEMBL | Assay Description Inhibition of cloned isozyme, human carbonic anhydrase I | Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ | |||||||||||
More data for this Ligand-Target Pair |