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BDBM38939 (4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-1,3-thiazol-3-yl)amino]methylidene]cyclohexa-2,5-dien-1-one::(4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-3-thiazolyl)amino]methylidene]-1-cyclohexa-2,5-dienone::(4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-4-thiazolin-3-yl)amino]methylene]cyclohexa-2,5-dien-1-one::(4E)-4-[[(4-methyl-2-methylimino-1,3-thiazol-3-yl)amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one::MLS000096544::SMR000062389::cid_5742517

SMILES: CN=c1scc(C)n1N=Cc1ccc(O)cc1O

InChI Key: InChIKey=VAGXEILWHSXRFT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 38939   
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 ROR-alpha


(Homo sapiens (Human))
BDBM38939
PNG
((4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-1,3-thi...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)cc1O |w:8.8,1.0|
Show InChI InChI=1S/C12H13N3O2S/c1-8-7-18-12(13-2)15(8)14-6-9-3-4-10(16)5-11(9)17/h3-7,16-17H,1-2H3
PDB
MMDB

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B.MOAD
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PC sid
UniChem
Article
PCBioAssay
n/an/a 1.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM38939
PNG
((4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-1,3-thi...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)cc1O |w:8.8,1.0|
Show InChI InChI=1S/C12H13N3O2S/c1-8-7-18-12(13-2)15(8)14-6-9-3-4-10(16)5-11(9)17/h3-7,16-17H,1-2H3
PDB
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n/an/a 1.94E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc9001026
BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM38939
PNG
((4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-1,3-thi...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)cc1O |w:8.8,1.0|
Show InChI InChI=1S/C12H13N3O2S/c1-8-7-18-12(13-2)15(8)14-6-9-3-4-10(16)5-11(9)17/h3-7,16-17H,1-2H3
PDB
MMDB

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UniChem
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n/an/a 4.27E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM38939
PNG
((4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-1,3-thi...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)cc1O |w:8.8,1.0|
Show InChI InChI=1S/C12H13N3O2S/c1-8-7-18-12(13-2)15(8)14-6-9-3-4-10(16)5-11(9)17/h3-7,16-17H,1-2H3
PDB
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n/an/a 1.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc060110n
BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38939
PNG
((4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-1,3-thi...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)cc1O |w:8.8,1.0|
Show InChI InChI=1S/C12H13N3O2S/c1-8-7-18-12(13-2)15(8)14-6-9-3-4-10(16)5-11(9)17/h3-7,16-17H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 7.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair