BDBM50058356 1-[(S)-3-Methyl-2-(2,4,6-triisopropyl-benzenesulfonylamino)-butyryl]-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL55386

SMILES: CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=UNNHXYNSQDWXBL-WNMGUVTHSA-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 = 50058356   

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))	BDBM50058356 (1-[(S)-3-Methyl-2-(2,4,6-triisopropyl-benzenesulfo...) Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C31H48F3N3O5S/c1-16(2)21-14-22(17(3)4)27(23(15-21)18(5)6)43(41,42)36-26(20(9)10)30(40)37-13-11-12-24(37)29(39)35-25(19(7)8)28(38)31(32,33)34/h14-20,24-26,36H,11-13H2,1-10H3,(H,35,39)/t24?,25?,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay				J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ
					More data for this Ligand-Target Pair