BDBM50003246 4-(3-Dimethylaminomethyl-4-hydroxy-benzenesulfonyl)-furan-2-sulfonic acid amide; hydrochloride::CHEMBL553909
SMILES: CN(C)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O
InChI Key: InChIKey=GZHYGBSJJZPBHI-UHFFFAOYSA-N
Data: 2 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)) | BDBM50003246 (4-(3-Dimethylaminomethyl-4-hydroxy-benzenesulfonyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase II | J Med Chem 35: 3822-31 (1992) BindingDB Entry DOI: 10.7270/Q2ZG6SV4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50003246 (4-(3-Dimethylaminomethyl-4-hydroxy-benzenesulfonyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9) | J Med Chem 35: 3822-31 (1992) BindingDB Entry DOI: 10.7270/Q2ZG6SV4 | |||||||||||
More data for this Ligand-Target Pair |