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BDBM39390 1-(2-furoyl)-4-(thien-2-ylcarbonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine::2-furanyl-[4-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methanone::2-furyl-[4-(2-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methanone::MLS000047232::SMR000033243::cid_3237169::furan-2-yl-(4-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methanone::furan-2-yl-[4-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]methanone

SMILES: O=C(N1CCN(Cc2ccccc12)C(=O)c1cccs1)c1ccco1

InChI Key: InChIKey=HUJUGQUEMANNHL-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 = 39390   
Target
(Institution)
LigandTarget
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)
BDBM39390
PNG
(1-(2-furoyl)-4-(thien-2-ylcarbonyl)-2,3,4,5-tetrah...)
Show SMILES O=C(N1CCN(Cc2ccccc12)C(=O)c1cccs1)c1ccco1
Show InChI InChI=1S/C19H16N2O3S/c22-18(16-7-3-11-24-16)21-10-9-20(19(23)17-8-4-12-25-17)13-14-5-1-2-6-15(14)21/h1-8,11-12H,9-10,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PCBioAssay
n/an/a>5.00E+7n/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)

More data for this
Ligand-Target Pair