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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte proteinase 3' and Monomerid = 50310690   
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
Leukocyte proteinase 3


(Homo sapiens (Human))
BDBM50310690
PNG
(CHEMBL1078411 | Cis-(S)-2-amino-N-((1R,2R)-1-cyano...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/t14-,15+,17+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst Canada& Co.

Curated by ChEMBL


Assay Description
Inhibition of human Proteinase-3


Bioorg Med Chem Lett 19: 5392-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.114
BindingDB Entry DOI: 10.7270/Q298874W
More data for this
Ligand-Target Pair