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BDBM71291 (5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thioxo-thiazolidin-4-one::(5E)-3-benzyl-5-[(2,3-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one::(5E)-5-[(2,3-dihydroxyphenyl)methylidene]-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone::(5E)-5-[[2,3-bis(oxidanyl)phenyl]methylidene]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one::3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one::MLS001163339::SMR000497264::cid_2291671

SMILES: Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O

InChI Key: InChIKey=ONAZKRHHQUOXCZ-NTEUORMPSA-N

Data: 5 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 5 hits for monomerid = 71291   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2NS0SCW
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.72E+4n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
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Article
PCBioAssay
n/an/a 3.23E+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)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2H130G1
More data for this
Ligand-Target Pair