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SMILES: CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O

InChI Key: InChIKey=VUEUHGOZLPOLDR-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 8 hits for monomerid = 40675   
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 receptor subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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n/an/a 4.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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n/an/a 2.54E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Core protein


(Hepatitis C virus)
BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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n/an/a>4.98E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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n/an/a 4.35E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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n/an/a 3.01E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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n/an/a 5.08E+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
Phospholipase A2


(Homo sapiens (Human))
BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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n/an/a 6.97E+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/Q26M35BC
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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n/an/a>6.66E+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)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair