BDBM50286308 2-[2,4-Dichloro-3-(4-methyl-piperazine-1-carbonyl)-phenoxymethyl]-4-isopropyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL322104

SMILES: CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O

InChI Key: InChIKey=YBUQJYOUPTTZHR-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 = 50286308   

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))	BDBM50286308 (2-[2,4-Dichloro-3-(4-methyl-piperazine-1-carbonyl)...) Show SMILES CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O Show InChI InChI=1S/C23H25Cl2N3O5S/c1-14(2)15-5-4-6-18-19(15)23(30)28(34(18,31)32)13-33-17-8-7-16(24)20(21(17)25)22(29)27-11-9-26(3)10-12-27/h4-8,14H,9-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact				Bioorg Med Chem Lett 5: 319-324 (1995) Article DOI: 10.1016/0960-894X(95)00028-R BindingDB Entry DOI: 10.7270/Q22F7NDM
					More data for this Ligand-Target Pair