BDBM50063049 CHEMBL3398146

SMILES: CCCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1

InChI Key: InChIKey=AEZYKYDDRKCISD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50063049   

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))	BDBM50063049 (CHEMBL3398146) Show SMILES CCCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C22H27NO5S/c1-5-6-11-20(24)18-9-7-8-10-19(18)23-29(26,27)17-14-12-16(13-15-17)28-21(25)22(2,3)4/h7-10,12-15,23H,5-6,11H2,1-4H3	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	224	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50063049 (CHEMBL3398146) Show SMILES CCCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C22H27NO5S/c1-5-6-11-20(24)18-9-7-8-10-19(18)23-29(26,27)17-14-12-16(13-15-17)28-21(25)22(2,3)4/h7-10,12-15,23H,5-6,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Leukocyte proteinase 3 (Homo sapiens (Human))	BDBM50063049 (CHEMBL3398146) Show SMILES CCCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C22H27NO5S/c1-5-6-11-20(24)18-9-7-8-10-19(18)23-29(26,27)17-14-12-16(13-15-17)28-21(25)22(2,3)4/h7-10,12-15,23H,5-6,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair