BDBM50029716 2-(1-Benzyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yloxymethyl)-4-isopropyl-6-methoxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL343281

SMILES: COc1cc2c(C(=O)N(COC3=CC(=O)N(Cc4ccccc4)C3)S2(=O)=O)c(c1)C(C)C

InChI Key: InChIKey=BTDLWWFNSAJLAI-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50029716   

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))	BDBM50029716 (2-(1-Benzyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yloxymet...) Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)N(Cc4ccccc4)C3)S2(=O)=O)c(c1)C(C)C |t:11| Show InChI InChI=1S/C23H24N2O6S/c1-15(2)19-9-17(30-3)10-20-22(19)23(27)25(32(20,28)29)14-31-18-11-21(26)24(13-18)12-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant				J Med Chem 38: 4687-92 (1995) BindingDB Entry DOI: 10.7270/Q2KP816X
					More data for this Ligand-Target Pair