BDBM50154332 (S)-4-Methyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]-pentanoic acid methylcarbamoylmethyl with resin::CHEMBL426803
SMILES: CNC(=O)COC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=DUGZDTXPMNFUOR-ZDUSSCGKSA-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)) | BDBM50154332 ((S)-4-Methyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibitory activity against human Carbonic anhydrase II | J Med Chem 47: 5224-9 (2004) Article DOI: 10.1021/jm049692i BindingDB Entry DOI: 10.7270/Q24F1RHJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50154332 ((S)-4-Methyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibitory activity against human Carbonic anhydrase I | J Med Chem 47: 5224-9 (2004) Article DOI: 10.1021/jm049692i BindingDB Entry DOI: 10.7270/Q24F1RHJ | |||||||||||
More data for this Ligand-Target Pair |