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BDBM66112 (5E)-2-(p-tolyl)-5-veratrylidene-2-thiazolin-4-one::(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one::(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-4-thiazolone::5-(3,4-Dimethoxy-benzylidene)-2-p-tolyl-thiazol-4-one::MLS000557107::SMR000174207::cid_1730305

SMILES: COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC

InChI Key: InChIKey=OEZWNIKWUNZGGV-GZTJUZNOSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 66112   
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66112
PNG
((5E)-2-(p-tolyl)-5-veratrylidene-2-thiazolin-4-one...)
Show SMILES COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
Show InChI InChI=1S/C19H17NO3S/c1-12-4-7-14(8-5-12)19-20-18(21)17(24-19)11-13-6-9-15(22-2)16(10-13)23-3/h4-11H,1-3H3/b17-11+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM66112
PNG
((5E)-2-(p-tolyl)-5-veratrylidene-2-thiazolin-4-one...)
Show SMILES COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
Show InChI InChI=1S/C19H17NO3S/c1-12-4-7-14(8-5-12)19-20-18(21)17(24-19)11-13-6-9-15(22-2)16(10-13)23-3/h4-11H,1-3H3/b17-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 742n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM66112
PNG
((5E)-2-(p-tolyl)-5-veratrylidene-2-thiazolin-4-one...)
Show SMILES COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
Show InChI InChI=1S/C19H17NO3S/c1-12-4-7-14(8-5-12)19-20-18(21)17(24-19)11-13-6-9-15(22-2)16(10-13)23-3/h4-11H,1-3H3/b17-11+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>5.96E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HT2MRM
More data for this
Ligand-Target Pair
beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM66112
PNG
((5E)-2-(p-tolyl)-5-veratrylidene-2-thiazolin-4-one...)
Show SMILES COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
Show InChI InChI=1S/C19H17NO3S/c1-12-4-7-14(8-5-12)19-20-18(21)17(24-19)11-13-6-9-15(22-2)16(10-13)23-3/h4-11H,1-3H3/b17-11+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NG4P3G
More data for this
Ligand-Target Pair