BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50015917'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015917
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)C)=C(COC(C)=O)CS2(=O)=O |t:14|
Show InChI InChI=1S/C14H19NO8S/c1-7(2)23-14(18)10-9(5-22-8(3)16)6-24(19,20)13-11(21-4)12(17)15(10)13/h7,11,13H,5-6H2,1-4H3/t11-,13+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 800n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Human Leukocyte Elastase (HLE)

J Med Chem 33: 2522-8 (1990)


BindingDB Entry DOI: 10.7270/Q2KH0M9J
More data for this
Ligand-Target Pair