BDBM50639 2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-::3-[(1,4-dihydroxy-2-naphthalenyl)thio]-2-butenoic acid ethyl ester::3-[(1,4-dihydroxy-2-naphthyl)thio]but-2-enoic acid ethyl ester::MLS000756621::SMR000528827::cid_322247::ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate::ethyl 3-[1,4-bis(oxidanyl)naphthalen-2-yl]sulfanylbut-2-enoate

SMILES CCOC(=O)C=C(C)Sc1cc(O)c2ccccc2c1O

InChI Key InChIKey=ZWPCTBYNLWBREY-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50639   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50639(2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)...)
Affinity DataIC50:  1.05E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50639(2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)...)
Affinity DataIC50: >6.66E+4nMAssay 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
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50639(2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)...)
Affinity DataIC50:  3.09E+4nMAssay 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
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50639(2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)...)
Affinity DataIC50:  1.18E+4nMAssay 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
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50639(2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)...)
Affinity DataIC50:  3.33E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay