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Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50501893'   
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))		BDBM50501893
PNG
(CHEMBL4435942)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(c(-[#8]S([#8-])(=O)=O)c1)-c1oc2cc(-[#8]S([#8-])(=O)=O)cc(-[#8]-[#6]-[#6]-[#6]-[#8]-c3cc(-[#8]S([#8-])(=O)=O)cc4oc(-c5ccc(-[#8]S([#8-])(=O)=O)cc5-[#8]S([#8-])(=O)=O)c(-[#8]S([#8-])(=O)=O)c(=O)c34)c2c(=O)c1-[#8]S([#8-])(=O)=O
Show InChI InChI=1S/C33H24O38S8/c34-28-26-22(10-16(66-74(42,43)44)12-24(26)62-30(32(28)70-78(54,55)56)18-4-2-14(64-72(36,37)38)8-20(18)68-76(48,49)50)60-6-1-7-61-23-11-17(67-75(45,46)47)13-25-27(23)29(35)33(71-79(57,58)59)31(63-25)19-5-3-15(65-73(39,40)41)9-21(19)69-77(51,52)53/h2-5,8-13H,1,6-7H2,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)/p-8
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.23E+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