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BDBM60948 5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]-2-oxidanyl-benzoic acid::5-[[2-[(5Z)-5-(2-furanylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]amino]-2-hydroxybenzoic acid::5-[[2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetyl]amino]-2-hydroxy-benzoic acid::5-[[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-2-hydroxybenzoic acid::MLS001157823::SMR000651259::cid_6237665

SMILES: OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O

InChI Key: InChIKey=QSKUWLRFJPOFNP-QPEQYQDCSA-N

Data: 8 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 8 hits for monomerid = 60948   
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))
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
PDB
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UniChem

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n/an/a 1.85E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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n/an/a 1.09E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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n/an/a 1.32E+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, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Phospholipase C-beta-3


(Homo sapiens (Human))
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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n/an/a 1.22E+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) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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n/an/a 1.51E+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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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n/an/a 5.86E+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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Phospholipase C, gamma 1


(Homo sapiens (Human))
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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n/an/a 1.22E+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) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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n/an/a 1.72E+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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair