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BDBM40232 (5Z)-5-[4-(dimethylamino)benzylidene]-4-(p-anisidino)-3-thiazolin-2-one::(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-(4-methoxyanilino)-1,3-thiazol-2-one::(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-(4-methoxyanilino)-2-thiazolone::(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-[(4-methoxyphenyl)amino]-1,3-thiazol-2-one::5-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-4-[(E)-4-methoxy-phenylimino]-thiazolidin-2-one::MLS000556847::SMR000147964::cid_1182681

SMILES: COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1

InChI Key: InChIKey=VGLXTCRPWKLVTE-UHFFFAOYSA-N

Data: 6 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 7 hits for monomerid = 40232   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM40232
PNG
((5Z)-5-[4-(dimethylamino)benzylidene]-4-(p-anisidi...)
Show SMILES COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C19H19N3O2S/c1-22(2)15-8-4-13(5-9-15)12-17-18(21-19(23)25-17)20-14-6-10-16(24-3)11-7-14/h4-12H,1-3H3,(H,20,21,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.33E+4n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40232
PNG
((5Z)-5-[4-(dimethylamino)benzylidene]-4-(p-anisidi...)
Show SMILES COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C19H19N3O2S/c1-22(2)15-8-4-13(5-9-15)12-17-18(21-19(23)25-17)20-14-6-10-16(24-3)11-7-14/h4-12H,1-3H3,(H,20,21,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.55E+4n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40232
PNG
((5Z)-5-[4-(dimethylamino)benzylidene]-4-(p-anisidi...)
Show SMILES COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C19H19N3O2S/c1-22(2)15-8-4-13(5-9-15)12-17-18(21-19(23)25-17)20-14-6-10-16(24-3)11-7-14/h4-12H,1-3H3,(H,20,21,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.27E+4n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM40232
PNG
((5Z)-5-[4-(dimethylamino)benzylidene]-4-(p-anisidi...)
Show SMILES COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C19H19N3O2S/c1-22(2)15-8-4-13(5-9-15)12-17-18(21-19(23)25-17)20-14-6-10-16(24-3)11-7-14/h4-12H,1-3H3,(H,20,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.02E+3n/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
plectin 1


(Homo sapiens (Human))
BDBM40232
PNG
((5Z)-5-[4-(dimethylamino)benzylidene]-4-(p-anisidi...)
Show SMILES COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C19H19N3O2S/c1-22(2)15-8-4-13(5-9-15)12-17-18(21-19(23)25-17)20-14-6-10-16(24-3)11-7-14/h4-12H,1-3H3,(H,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.41E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2R78CNZ
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens (Human))
BDBM40232
PNG
((5Z)-5-[4-(dimethylamino)benzylidene]-4-(p-anisidi...)
Show SMILES COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C19H19N3O2S/c1-22(2)15-8-4-13(5-9-15)12-17-18(21-19(23)25-17)20-14-6-10-16(24-3)11-7-14/h4-12H,1-3H3,(H,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.00E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2QZ28D7
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM40232
PNG
((5Z)-5-[4-(dimethylamino)benzylidene]-4-(p-anisidi...)
Show SMILES COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C19H19N3O2S/c1-22(2)15-8-4-13(5-9-15)12-17-18(21-19(23)25-17)20-14-6-10-16(24-3)11-7-14/h4-12H,1-3H3,(H,20,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.80E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair