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BDBM43063 (4-Ethyl-phenoxy)-acetic acid N'-[2-(5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetyl]-hydrazide::MLS000555363::N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-2-(4-ethylphenoxy)acetohydrazide::N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-2-(4-ethylphenoxy)ethanehydrazide::N'-[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-2-(4-ethylphenoxy)acetohydrazide::N'-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-2-(4-ethylphenoxy)acetohydrazide::SMR000177511::cid_1735895

SMILES: CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1

InChI Key: InChIKey=UHXPPBAEFGCSFQ-UHFFFAOYSA-N

Data: 4 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 = 43063   
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))
BDBM43063
PNG
((4-Ethyl-phenoxy)-acetic acid N'-[2-(5,6-dimet...)
Show SMILES CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
Show InChI InChI=1S/C20H22N4O3S2/c1-4-14-5-7-15(8-6-14)27-9-16(25)23-24-17(26)10-28-19-18-12(2)13(3)29-20(18)22-11-21-19/h5-8,11H,4,9-10H2,1-3H3,(H,23,25)(H,24,26)
PDB
MMDB

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PCBioAssay
n/an/an/an/a 2.88E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43063
PNG
((4-Ethyl-phenoxy)-acetic acid N'-[2-(5,6-dimet...)
Show SMILES CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
Show InChI InChI=1S/C20H22N4O3S2/c1-4-14-5-7-15(8-6-14)27-9-16(25)23-24-17(26)10-28-19-18-12(2)13(3)29-20(18)22-11-21-19/h5-8,11H,4,9-10H2,1-3H3,(H,23,25)(H,24,26)
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n/an/an/an/a 1.07E+6n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM43063
PNG
((4-Ethyl-phenoxy)-acetic acid N'-[2-(5,6-dimet...)
Show SMILES CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
Show InChI InChI=1S/C20H22N4O3S2/c1-4-14-5-7-15(8-6-14)27-9-16(25)23-24-17(26)10-28-19-18-12(2)13(3)29-20(18)22-11-21-19/h5-8,11H,4,9-10H2,1-3H3,(H,23,25)(H,24,26)
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n/an/an/an/a 2.57E+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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM43063
PNG
((4-Ethyl-phenoxy)-acetic acid N'-[2-(5,6-dimet...)
Show SMILES CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
Show InChI InChI=1S/C20H22N4O3S2/c1-4-14-5-7-15(8-6-14)27-9-16(25)23-24-17(26)10-28-19-18-12(2)13(3)29-20(18)22-11-21-19/h5-8,11H,4,9-10H2,1-3H3,(H,23,25)(H,24,26)
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n/an/an/an/a 3.38E+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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


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