BDBM50017728 7,7-Dioxo-4-propylamino-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide; hydrochloride::CHEMBL543604
SMILES: CCCNC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O
InChI Key: InChIKey=SGNMDWWVUFZKHH-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)) | BDBM50017728 (7,7-Dioxo-4-propylamino-4,5,6,7-tetrahydro-7lambda...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme-Chibret Curated by ChEMBL | Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II | J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |