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BDBM48304 2-thiophenecarboxylic acid [1-(2-furanylmethylamino)-4-methyl-1-oxopentan-2-yl] ester::MLS000073700::SMR000006573::Thiophene-2-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-3-methyl-butyl ester::[1-(furan-2-ylmethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl] thiophene-2-carboxylate::[1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate::cid_648423::thiophene-2-carboxylic acid [1-(2-furfurylcarbamoyl)-3-methyl-butyl] ester

SMILES: CC(C)CC(OC(=O)c1cccs1)C(=O)NCc1ccco1

InChI Key: InChIKey=LSURROKOUILUCP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 48304   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48304
PNG
(2-thiophenecarboxylic acid [1-(2-furanylmethylamin...)
Show SMILES CC(C)CC(OC(=O)c1cccs1)C(=O)NCc1ccco1
Show InChI InChI=1S/C16H19NO4S/c1-11(2)9-13(21-16(19)14-6-4-8-22-14)15(18)17-10-12-5-3-7-20-12/h3-8,11,13H,9-10H2,1-2H3,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
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