BindingDB logo
myBDB logout

BDBM50187499 CHEMBL3827125

SMILES: CC(C)OC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1CC=C

InChI Key: InChIKey=GASOKWIXSXZBIX-MRCUWXFGSA-N

Data: 1 IC50

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 = 50187499   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cruzipain


(Trypanosoma cruzi)
BDBM50187499
PNG
(CHEMBL3827125)
Show SMILES CC(C)OC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1CC=C
Show InChI InChI=1S/C20H24N2O5S2/c1-4-9-22-18(25)14(10-15(23)24)29-20(22)21-17-16(19(26)27-11(2)3)12-7-5-6-8-13(12)28-17/h4,11,14H,1,5-10H2,2-3H3,(H,23,24)/b21-20-
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.11E+5n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry


Bioorg Med Chem 24: 4228-4240 (2016)


Article DOI: 10.1016/j.bmc.2016.07.013
BindingDB Entry DOI: 10.7270/Q2CZ393W
More data for this
Ligand-Target Pair