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BDBM61652 2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]butyl]amino]benzoic acid::2-oxidanyl-4-[4-[(5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::4-[4-[(5Z)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]butanoylamino]-2-hydroxy-benzoic acid::4-[4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid::MLS001157852::SMR000651252::cid_6226024

SMILES: OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O

InChI Key: InChIKey=OSZBSJXLNJYIRY-BOPFTXTBSA-N

Data: 7 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 7 hits for monomerid = 61652   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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n/an/a 500n/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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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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/Q28G8J5T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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n/an/a>1.00E+5n/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/Q2QZ28FP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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n/an/a 8.50E+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/Q2M9073J
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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n/an/a 2.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12327
BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair