BindingDB logo
myBDB logout

BDBM50480136 CHEMBL515787

SMILES: CCN1\C(Sc2ccc(OC)cc12)=C/C(/OC)=C\c1sc2ccccc2[n+]1CCCS([O-])(=O)=O

InChI Key: InChIKey=YGIKJGIQWDUYOD-UHFFFAOYSA-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 = 50480136   
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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50480136
PNG
(CHEMBL515787)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(/OC)=C\c1sc2ccccc2[n+]1CCCS([O-])(=O)=O
Show InChI InChI=1S/C24H26N2O5S3/c1-4-25-20-14-17(30-2)10-11-22(20)33-23(25)15-18(31-3)16-24-26(12-7-13-34(27,28)29)19-8-5-6-9-21(19)32-24/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



National Health Research Institute

Curated by ChEMBL


Assay Description
Inhibition of SARS Coronavirus 3C-like protease expressed in Escherichia coli


Antimicrob Agents Chemother 51: 3924-31 (2007)


Article DOI: 10.1128/aac.00408-07
BindingDB Entry DOI: 10.7270/Q2PG1VJJ
More data for this
Ligand-Target Pair