BDBM50035947 2-{3-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-benzenesulfonylamino]-2-oxo-6-phenyl-2H-pyridin-1-yl}-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL303493

SMILES: CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=NMFDRQRJXZTJHY-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 = 50035947   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50035947 (2-{3-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-be...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C32H28ClF3N4O8S2/c1-19(2)28(29(42)32(34,35)36)37-27(41)18-40-26(20-6-4-3-5-7-20)17-16-25(31(40)44)38-49(45,46)23-12-8-21(9-13-23)30(43)39-50(47,48)24-14-10-22(33)11-15-24/h3-17,19,28,38H,18H2,1-2H3,(H,37,41)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Binding affinity against Elastase.				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035947 (2-{3-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-be...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C32H28ClF3N4O8S2/c1-19(2)28(29(42)32(34,35)36)37-27(41)18-40-26(20-6-4-3-5-7-20)17-16-25(31(40)44)38-49(45,46)23-12-8-21(9-13-23)30(43)39-50(47,48)24-14-10-22(33)11-15-24/h3-17,19,28,38H,18H2,1-2H3,(H,37,41)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyzed hydrolysis of MeO-Suc-Ala-Ala-Pro-Ala-pNA)				J Med Chem 38: 212-5 (1995) BindingDB Entry DOI: 10.7270/Q2KW5F3G
					More data for this Ligand-Target Pair