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BDBM95288 6-fluoranyl-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one::6-fluoro-3-(2-methoxybenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one::6-fluoro-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one::6-fluoro-3-o-anisyl-2-thioxo-1H-quinazolin-4-one::MLS001201090::SMR000564262::cid_4191572

SMILES: COc1ccccc1Cn1c(=S)[nH]c2ccc(F)cc2c1=O

InChI Key: InChIKey=JOZDVNMNPRLODN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 95288   
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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95288
PNG
(6-fluoranyl-3-[(2-methoxyphenyl)methyl]-2-sulfanyl...)
Show SMILES COc1ccccc1Cn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C16H13FN2O2S/c1-21-14-5-3-2-4-10(14)9-19-15(20)12-8-11(17)6-7-13(12)18-16(19)22/h2-8H,9H2,1H3,(H,18,22)
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n/an/a 3.01E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM95288
PNG
(6-fluoranyl-3-[(2-methoxyphenyl)methyl]-2-sulfanyl...)
Show SMILES COc1ccccc1Cn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C16H13FN2O2S/c1-21-14-5-3-2-4-10(14)9-19-15(20)12-8-11(17)6-7-13(12)18-16(19)22/h2-8H,9H2,1H3,(H,18,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/a 412n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95288
PNG
(6-fluoranyl-3-[(2-methoxyphenyl)methyl]-2-sulfanyl...)
Show SMILES COc1ccccc1Cn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C16H13FN2O2S/c1-21-14-5-3-2-4-10(14)9-19-15(20)12-8-11(17)6-7-13(12)18-16(19)22/h2-8H,9H2,1H3,(H,18,22)
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UniProtKB/SwissProt

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PCBioAssay
n/an/a 3.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95288
PNG
(6-fluoranyl-3-[(2-methoxyphenyl)methyl]-2-sulfanyl...)
Show SMILES COc1ccccc1Cn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C16H13FN2O2S/c1-21-14-5-3-2-4-10(14)9-19-15(20)12-8-11(17)6-7-13(12)18-16(19)22/h2-8H,9H2,1H3,(H,18,22)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.34E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair