BDBM50068298 4-Benzyloxycarbonylamino-benzoic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL144342
SMILES: O=C(Nc1ccc(cc1)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)OCc1ccccc1
InChI Key: InChIKey=CBOLHARMZJJAHQ-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50068298 (4-Benzyloxycarbonylamino-benzoic acid 1,1,3-trioxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity was measured against human leukocyte elastase. | J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50068298 (4-Benzyloxycarbonylamino-benzoic acid 1,1,3-trioxo...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity was measured against thrombin. | J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083 | |||||||||||
More data for this Ligand-Target Pair |