BindingDB logo
myBDB logout

null

SMILES: CCC(CC)C(=O)Oc1coc(CSc2nnc(s2)-c2ccccc2)cc1=O

InChI Key: InChIKey=FMUNYCCTOHSTSC-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50444310   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))		BDBM50444310
PNG
(CHEMBL3093819)
Show SMILES CCC(CC)C(=O)Oc1coc(CSc2nnc(s2)-c2ccccc2)cc1=O
Show InChI InChI=1S/C20H20N2O4S2/c1-3-13(4-2)19(24)26-17-11-25-15(10-16(17)23)12-27-20-22-21-18(28-20)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...

J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
BindingDB Entry DOI: 10.7270/Q2RX9DJ9
More data for this
Ligand-Target Pair