BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50260051'   
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))		BDBM50260051
PNG
(CHEMBL4102885)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OCc2ccc(cc2)-c2ccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)cc2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O
Show InChI InChI=1S/C44H30O38S8/c45-39-37-33(15-27(75-83(47,48)49)17-35(37)73-41(43(39)81-89(65,66)67)25-9-11-29(77-85(53,54)55)31(13-25)79-87(59,60)61)71-19-21-1-5-23(6-2-21)24-7-3-22(4-8-24)20-72-34-16-28(76-84(50,51)52)18-36-38(34)40(46)44(82-90(68,69)70)42(74-36)26-10-12-30(78-86(56,57)58)32(14-26)80-88(62,63)64/h1-18H,19-20H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)/p-8
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.65E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using S1384 as substrate preincubated for 5 mins followed by substrate addition

J Med Chem 62: 5501-5511 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00379
BindingDB Entry DOI: 10.7270/Q2DR2ZR4
More data for this
Ligand-Target Pair