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SMILES: COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=VRTZCBRSBUCIKR-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 2 hits for monomerid = 30767   
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
Genome polyprotein


(West Nile virus)
BDBM30767
PNG
(3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-metho...)
Show SMILES COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H16N2O6/c1-24-11-4-5-12-13(8-11)20-17(19(23)25-2)16(12)21-18(22)10-3-6-14-15(7-10)27-9-26-14/h3-8,20H,9H2,1-2H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM30767
PNG
(3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-metho...)
Show SMILES COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H16N2O6/c1-24-11-4-5-12-13(8-11)20-17(19(23)25-2)16(12)21-18(22)10-3-6-14-15(7-10)27-9-26-14/h3-8,20H,9H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.90E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q21N7ZG0
More data for this
Ligand-Target Pair