BDBM50012208 5-{1-[[2-(2-Methoxy-ethoxy)-ethyl]-(2-methoxy-ethyl)-amino]-ethyl}-thieno[2,3-b]thiophene-2-sulfonic acid amide; hydrochloride::CHEMBL543319
SMILES: COCCOCCN(CCOC)C(C)c1cc2cc(sc2s1)S(N)(=O)=O
InChI Key: InChIKey=NVVMIJKZKRMIRY-UHFFFAOYSA-N
Data: 1 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)) | BDBM50012208 (5-{1-[[2-(2-Methoxy-ethoxy)-ethyl]-(2-methoxy-ethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity against human carbonic anhydrase II | J Med Chem 34: 1805-18 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q25D8SFP | |||||||||||
More data for this Ligand-Target Pair |