BindingDB logo
myBDB logout

BDBM50058355 1-{(S)-3-Methyl-2-[4-(naphthalene-1-sulfonylamino)-4-oxo-butyrylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL291309

SMILES: CC(C)[C@H](NC(=O)CCC(=O)NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=QZUSWMYUPDEUBV-FNEQHPHYSA-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 = 50058355   
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))		BDBM50058355
PNG
(1-{(S)-3-Methyl-2-[4-(naphthalene-1-sulfonylamino)...)
Show SMILES CC(C)[C@H](NC(=O)CCC(=O)NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H37F3N4O7S/c1-17(2)25(27(40)30(31,32)33)35-28(41)21-12-8-16-37(21)29(42)26(18(3)4)34-23(38)14-15-24(39)36-45(43,44)22-13-7-10-19-9-5-6-11-20(19)22/h5-7,9-11,13,17-18,21,25-26H,8,12,14-16H2,1-4H3,(H,34,38)(H,35,41)(H,36,39)/t21?,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
 6.10n/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