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2 similar compounds to monomer 50084019

Compile data set for download or QSAR
Wt: 444.5
BDBM49608
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Wt: 368.4
BDBM72130
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 49608,72130   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49608
PNG
(3-(4-Biphenyl-4-yl-thiazol-2-ylamino)-6,7-dimethox...)
Show SMILES COc1ccc2C(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)OC(=O)c2c1OC
Show InChI InChI=1S/C25H20N2O4S/c1-29-20-13-12-18-21(22(20)30-2)24(28)31-23(18)27-25-26-19(14-32-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,23H,1-2H3,(H,26,27)
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PCBioAssay
n/an/an/an/a 2.98E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM72130
PNG
(6,7-dimethoxy-3-[(4-phenyl-1,3-thiazol-2-yl)amino]...)
Show SMILES COc1ccc2C(Nc3nc(cs3)-c3ccccc3)OC(=O)c2c1OC
Show InChI InChI=1S/C19H16N2O4S/c1-23-14-9-8-12-15(16(14)24-2)18(22)25-17(12)21-19-20-13(10-26-19)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,20,21)
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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n/an/an/an/a 1.36E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM49608
PNG
(3-(4-Biphenyl-4-yl-thiazol-2-ylamino)-6,7-dimethox...)
Show SMILES COc1ccc2C(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)OC(=O)c2c1OC
Show InChI InChI=1S/C25H20N2O4S/c1-29-20-13-12-18-21(22(20)30-2)24(28)31-23(18)27-25-26-19(14-32-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,23H,1-2H3,(H,26,27)
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n/an/a 6.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM49608
PNG
(3-(4-Biphenyl-4-yl-thiazol-2-ylamino)-6,7-dimethox...)
Show SMILES COc1ccc2C(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)OC(=O)c2c1OC
Show InChI InChI=1S/C25H20N2O4S/c1-29-20-13-12-18-21(22(20)30-2)24(28)31-23(18)27-25-26-19(14-32-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,23H,1-2H3,(H,26,27)
PDB
MMDB

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Article
PCBioAssay
n/an/a 1.71E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi501197t
BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM49608
PNG
(3-(4-Biphenyl-4-yl-thiazol-2-ylamino)-6,7-dimethox...)
Show SMILES COc1ccc2C(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)OC(=O)c2c1OC
Show InChI InChI=1S/C25H20N2O4S/c1-29-20-13-12-18-21(22(20)30-2)24(28)31-23(18)27-25-26-19(14-32-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,23H,1-2H3,(H,26,27)
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n/an/a 3.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM49608
PNG
(3-(4-Biphenyl-4-yl-thiazol-2-ylamino)-6,7-dimethox...)
Show SMILES COc1ccc2C(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)OC(=O)c2c1OC
Show InChI InChI=1S/C25H20N2O4S/c1-29-20-13-12-18-21(22(20)30-2)24(28)31-23(18)27-25-26-19(14-32-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,23H,1-2H3,(H,26,27)
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PCBioAssay
n/an/a 8.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair