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BDBM34803 (4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-(2-thienyl)-4-thiazolin-3-yl]amino]methylene]cyclohexa-2,5-dien-1-one::(4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]amino]methylidene]cyclohexa-2,5-dien-1-one::(4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-thiophen-2-yl-3-thiazolyl]amino]methylidene]-1-cyclohexa-2,5-dienone::(4E)-4-[[[2-(2-methoxyethylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]amino]methylidene]-2,3-bis(oxidanyl)cyclohexa-2,5-dien-1-one::MLS000339614::SMR000242031::cid_6146295

SMILES: COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O

InChI Key: InChIKey=RFMNRVRJCACEGK-UHFFFAOYSA-N

Data: 4 IC50  2 EC50

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 6 hits for monomerid = 34803   
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
MPI protein


(Homo sapiens (Human))
BDBM34803
PNG
((4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-...)
Show SMILES COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
Show InChI InChI=1S/C17H17N3O4S2/c1-24-7-6-18-17-20(12(10-26-17)14-3-2-8-25-14)19-9-11-4-5-13(21)16(23)15(11)22/h2-5,8-10,21-23H,6-7H2,1H3
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n/an/a 2.38E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM34803
PNG
((4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-...)
Show SMILES COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
Show InChI InChI=1S/C17H17N3O4S2/c1-24-7-6-18-17-20(12(10-26-17)14-3-2-8-25-14)19-9-11-4-5-13(21)16(23)15(11)22/h2-5,8-10,21-23H,6-7H2,1H3
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MMDB

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n/an/a 5.17E+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
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM34803
PNG
((4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-...)
Show SMILES COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
Show InChI InChI=1S/C17H17N3O4S2/c1-24-7-6-18-17-20(12(10-26-17)14-3-2-8-25-14)19-9-11-4-5-13(21)16(23)15(11)22/h2-5,8-10,21-23H,6-7H2,1H3
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n/an/a 2.53E+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/Q2N58K09
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM34803
PNG
((4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-...)
Show SMILES COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
Show InChI InChI=1S/C17H17N3O4S2/c1-24-7-6-18-17-20(12(10-26-17)14-3-2-8-25-14)19-9-11-4-5-13(21)16(23)15(11)22/h2-5,8-10,21-23H,6-7H2,1H3
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n/an/an/an/a 1.93E+4n/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/Q28P5XX5
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM34803
PNG
((4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-...)
Show SMILES COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
Show InChI InChI=1S/C17H17N3O4S2/c1-24-7-6-18-17-20(12(10-26-17)14-3-2-8-25-14)19-9-11-4-5-13(21)16(23)15(11)22/h2-5,8-10,21-23H,6-7H2,1H3
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n/an/a>1.19E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM34803
PNG
((4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-...)
Show SMILES COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
Show InChI InChI=1S/C17H17N3O4S2/c1-24-7-6-18-17-20(12(10-26-17)14-3-2-8-25-14)19-9-11-4-5-13(21)16(23)15(11)22/h2-5,8-10,21-23H,6-7H2,1H3
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n/an/an/an/a 1.18E+4n/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/Q29P302B
More data for this
Ligand-Target Pair