BDBM32981 (5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3-methyl-2-sulfanylidene-4-thiazolidinone::(5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one::(5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one::(5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one::5-[1-[1-(3-Hydroxy-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-meth-(Z)-ylidene]-3-methyl-2-thioxo-thiazolidin-4- one::MLS000779143::SMR000415846::cid_1872395

SMILES CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2cccc(O)c2)C1=O

InChI Key InChIKey=OOKBNDKJSKBKTB-NVNXTCNLSA-N

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 32981   

TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32981((5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...)
Affinity DataIC50: >5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32981((5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...)
Affinity DataIC50:  4.55E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32981((5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...)
Affinity DataEC50:  9.29E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32981((5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...)
Affinity DataIC50:  695nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay