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BDBM48458 Furan-2-carboxylic acid {2,5-diethoxy-4-[(thiophene-2-carbonyl)-amino]-phenyl}-amide::MLS000528029::N-[2,5-diethoxy-4-(2-thenoylamino)phenyl]-2-furamide::N-[2,5-diethoxy-4-(thiophen-2-ylcarbonylamino)phenyl]furan-2-carboxamide::N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide::N-[2,5-diethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide::SMR000120603::cid_1374340

SMILES: CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1

InChI Key: InChIKey=AGWFGPCZMMBBOZ-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 48458   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48458
PNG
(Furan-2-carboxylic acid {2,5-diethoxy-4-[(thiophen...)
Show SMILES CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1
Show InChI InChI=1S/C20H20N2O5S/c1-3-25-16-12-14(22-20(24)18-8-6-10-28-18)17(26-4-2)11-13(16)21-19(23)15-7-5-9-27-15/h5-12H,3-4H2,1-2H3,(H,21,23)(H,22,24)
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UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University

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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM48458
PNG
(Furan-2-carboxylic acid {2,5-diethoxy-4-[(thiophen...)
Show SMILES CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1
Show InChI InChI=1S/C20H20N2O5S/c1-3-25-16-12-14(22-20(24)18-8-6-10-28-18)17(26-4-2)11-13(16)21-19(23)15-7-5-9-27-15/h5-12H,3-4H2,1-2H3,(H,21,23)(H,22,24)
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KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>9.23E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KK99CT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM48458
PNG
(Furan-2-carboxylic acid {2,5-diethoxy-4-[(thiophen...)
Show SMILES CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1
Show InChI InChI=1S/C20H20N2O5S/c1-3-25-16-12-14(22-20(24)18-8-6-10-28-18)17(26-4-2)11-13(16)21-19(23)15-7-5-9-27-15/h5-12H,3-4H2,1-2H3,(H,21,23)(H,22,24)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>8.91E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair