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BDBM55057 2-(benzylthio)-4-(3-methoxy-4-propoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile::2-(benzylthio)-4-keto-6-(3-methoxy-4-propoxy-phenyl)-1H-pyrimidine-5-carbonitrile::2-benzylsulfanyl-6-(3-methoxy-4-propoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile::6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile::6-(3-methoxy-4-propoxyphenyl)-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile::MLS001200267::SMR000563512::cid_9123090

SMILES: CCCOc1ccc(cc1OC)-c1nc(SCc2ccccc2)[nH]c(=O)c1C#N

InChI Key: InChIKey=UYDFQOGOFNVYDE-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 55057   
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
NS3


(Hepatitis C virus)		BDBM55057
PNG
(2-(benzylthio)-4-(3-methoxy-4-propoxyphenyl)-6-oxo...)
Show SMILES CCCOc1ccc(cc1OC)-c1nc(SCc2ccccc2)[nH]c(=O)c1C#N
Show InChI InChI=1S/C22H21N3O3S/c1-3-11-28-18-10-9-16(12-19(18)27-2)20-17(13-23)21(26)25-22(24-20)29-14-15-7-5-4-6-8-15/h4-10,12H,3,11,14H2,1-2H3,(H,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair