BindingDB logo
myBDB logout

BDBM50058374 1-((S)-3-Methyl-2-pentafluorobenzenesulfonylamino-butyryl)-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL301691

SMILES: CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=AKJRRLFLBSQGQZ-HDWNGQBPSA-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 = 50058374   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))		BDBM50058374
PNG
(1-((S)-3-Methyl-2-pentafluorobenzenesulfonylamino-...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H25F8N3O5S/c1-8(2)16(19(34)22(28,29)30)31-20(35)10-6-5-7-33(10)21(36)17(9(3)4)32-39(37,38)18-14(26)12(24)11(23)13(25)15(18)27/h8-10,16-17,32H,5-7H2,1-4H3,(H,31,35)/t10?,16?,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.60n/an/an/an/an/an/an/an/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