BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50060331'   
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))		BDBM50060331
PNG
(CHEMBL412744 | bis-[4-tert-Butyl-2-[5-tert-butyl-3...)
Show SMILES CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc(c1)c2OCC(O)=O)c9OCC(O)=O)C(C)(C)C)c8OCC(O)=O)C(C)(C)C)c7OCC(O)=O)C(C)(C)C)c6OCC(O)=O)C(C)(C)C)c5OCC(O)=O)C(C)(C)C)c4OCC(O)=O)C(C)(C)C)c3OCC(O)=O)C(C)(C)C
Show InChI InChI=1S/C104H128O24/c1-97(2,3)73-33-57-25-59-35-74(98(4,5)6)37-61(90(59)122-50-82(107)108)27-63-39-76(100(10,11)12)41-65(92(63)124-52-84(111)112)29-67-43-78(102(16,17)18)45-69(94(67)126-54-86(115)116)31-71-47-80(104(22,23)24)48-72(96(71)128-56-88(119)120)32-70-46-79(103(19,20)21)44-68(95(70)127-55-87(117)118)30-66-42-77(101(13,14)15)40-64(93(66)125-53-85(113)114)28-62-38-75(99(7,8)9)36-60(91(62)123-51-83(109)110)26-58(34-73)89(57)121-49-81(105)106/h33-48H,25-32,49-56H2,1-24H3,(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.30E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase

J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair