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BDBM50674 4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid::4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid::4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid::4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid::CHEMBL442449::MLS000775040::SMR000364586::cid_2012945

SMILES: OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O

InChI Key: InChIKey=WVXZZGALNSGPLY-XNTDXEJSSA-N

Data: 5 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 7 hits for monomerid = 50674   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50674
PNG
(4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10+
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n/an/a 1.38E+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
Caspase-9


(Homo sapiens (Human))
BDBM50674
PNG
(4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10+
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n/an/a 4.09E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM50674
PNG
(4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10+
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n/an/an/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM50674
PNG
(4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10+
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of lymphoid specific tyrosine phosphatase


Bioorg Med Chem Lett 18: 2840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.079
BindingDB Entry DOI: 10.7270/Q28S4QSJ
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50674
PNG
(4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10+
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n/an/a 7.03E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM50674
PNG
(4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10+
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n/an/a 5.31E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM50674
PNG
(4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10+
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n/an/an/an/a 5.12E+3n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29C6VXX
More data for this
Ligand-Target Pair