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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM39937'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor beta


(Homo sapiens (Human))
BDBM39937
PNG
(2-[2-(5-bromanylfuran-2-yl)-3H-benzimidazol-5-yl]i...)
Show SMILES Brc1ccc(o1)-c1nc2ccc(cc2[nH]1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H10BrN3O3/c20-16-8-7-15(26-16)17-21-13-6-5-10(9-14(13)22-17)23-18(24)11-3-1-2-4-12(11)19(23)25/h1-9H,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
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PCBioAssay
n/an/a 23n/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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM39937
PNG
(2-[2-(5-bromanylfuran-2-yl)-3H-benzimidazol-5-yl]i...)
Show SMILES Brc1ccc(o1)-c1nc2ccc(cc2[nH]1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H10BrN3O3/c20-16-8-7-15(26-16)17-21-13-6-5-10(9-14(13)22-17)23-18(24)11-3-1-2-4-12(11)19(23)25/h1-9H,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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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))
BDBM39937
PNG
(2-[2-(5-bromanylfuran-2-yl)-3H-benzimidazol-5-yl]i...)
Show SMILES Brc1ccc(o1)-c1nc2ccc(cc2[nH]1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H10BrN3O3/c20-16-8-7-15(26-16)17-21-13-6-5-10(9-14(13)22-17)23-18(24)11-3-1-2-4-12(11)19(23)25/h1-9H,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 416n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VQ313H
More data for this
Ligand-Target Pair