BDBM50286322 2,6-Dichloro-benzoic acid 4-ethyl-1,1,3-trioxo-1,3,4,5,6,7-hexahydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL326848

SMILES: CCC1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O

InChI Key: InChIKey=MXNDYFGCAIMNEX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50286322   

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))	BDBM50286322 (2,6-Dichloro-benzoic acid 4-ethyl-1,1,3-trioxo-1,3...) Show SMILES CCC1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O |c:6| Show InChI InChI=1S/C17H17Cl2NO5S/c1-2-10-5-3-8-13-14(10)16(21)20(26(13,23)24)9-25-17(22)15-11(18)6-4-7-12(15)19/h4,6-7,10H,2-3,5,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE)				Bioorg Med Chem Lett 5: 325-330 (1995) Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50286322 (2,6-Dichloro-benzoic acid 4-ethyl-1,1,3-trioxo-1,3...) Show SMILES CCC1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O |c:6| Show InChI InChI=1S/C17H17Cl2NO5S/c1-2-10-5-3-8-13-14(10)16(21)20(26(13,23)24)9-25-17(22)15-11(18)6-4-7-12(15)19/h4,6-7,10H,2-3,5,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Observed binding affinity against Human leukocyte elastase (HLE)				Bioorg Med Chem Lett 5: 325-330 (1995) Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV
					More data for this Ligand-Target Pair