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BDBM43064 (5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thiazolin-4-one::(5Z)-2-amino-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone::(5Z)-2-amino-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one::(5Z)-2-azanyl-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one::5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-imino-1,3-thiazolidin-4-one::MLS000574241::SMR000195833::cid_1337412

SMILES: CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1

InChI Key: InChIKey=XLGZUCLOYKPZHM-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 43064   
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
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM43064
PNG
((5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-ph...)
Show SMILES CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)
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n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM43064
PNG
((5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-ph...)
Show SMILES CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM43064
PNG
((5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-ph...)
Show SMILES CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)
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n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM43064
PNG
((5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-ph...)
Show SMILES CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM43064
PNG
((5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-ph...)
Show SMILES CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM43064
PNG
((5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-ph...)
Show SMILES CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM43064
PNG
((5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-ph...)
Show SMILES CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM43064
PNG
((5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-ph...)
Show SMILES CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair