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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50068298   

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...) Show SMILES O=C(Nc1ccc(cc1)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)OCc1ccccc1 Show InChI InChI=1S/C23H18N2O7S/c26-21-19-8-4-5-9-20(19)33(29,30)25(21)15-32-22(27)17-10-12-18(13-11-17)24-23(28)31-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,28)	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...) Show SMILES O=C(Nc1ccc(cc1)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)OCc1ccccc1 Show InChI InChI=1S/C23H18N2O7S/c26-21-19-8-4-5-9-20(19)33(29,30)25(21)15-32-22(27)17-10-12-18(13-11-17)24-23(28)31-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,28)	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