null
SMILES: CC(C=O)N(Cc1cc2cc(sc2s1)S(N)(=O)=O)C(C)C=O
InChI Key: InChIKey=HEFDLOOKUCVISG-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 2 (Homo sapiens (Human)) | BDBM50012227 (5-{[Bis-(1-methyl-2-oxo-ethyl)-amino]-methyl}-thie...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.49 | 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 The compound was tested for 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 |