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SMILES: O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)NCc1ccco1

InChI Key: InChIKey=UPRJULRFEWRHNS-UHFFFAOYSA-N

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 = 39991   
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))
BDBM39991
PNG
(3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic...)
Show SMILES O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)NCc1ccco1
Show InChI InChI=1S/C23H22N2O6S/c26-22(24-14-20-8-4-12-30-20)16-31-23(27)18-7-3-9-21(13-18)32(28,29)25-11-10-17-5-1-2-6-19(17)15-25/h1-9,12-13H,10-11,14-16H2,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.50E+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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM39991
PNG
(3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic...)
Show SMILES O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)NCc1ccco1
Show InChI InChI=1S/C23H22N2O6S/c26-22(24-14-20-8-4-12-30-20)16-31-23(27)18-7-3-9-21(13-18)32(28,29)25-11-10-17-5-1-2-6-19(17)15-25/h1-9,12-13H,10-11,14-16H2,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM39991
PNG
(3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic...)
Show SMILES O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)NCc1ccco1
Show InChI InChI=1S/C23H22N2O6S/c26-22(24-14-20-8-4-12-30-20)16-31-23(27)18-7-3-9-21(13-18)32(28,29)25-11-10-17-5-1-2-6-19(17)15-25/h1-9,12-13H,10-11,14-16H2,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 24.2n/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