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2 similar compounds to monomer 40631

Compile data set for download or QSAR
Wt: 256.2
BDBM40189
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Wt: 256.2
BDBM49738
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 40189,49738   
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))
BDBM40189
PNG
(MLS000520023 | N-(4-ethylphenyl)-5,6-dihydro-4H-cy...)
Show SMILES CCc1ccc(NC(=O)c2noc3CCCc23)cc1
Show InChI InChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-9H,2-5H2,1H3,(H,16,18)
PDB

UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 7.94E+3n/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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40189
PNG
(MLS000520023 | N-(4-ethylphenyl)-5,6-dihydro-4H-cy...)
Show SMILES CCc1ccc(NC(=O)c2noc3CCCc23)cc1
Show InChI InChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-9H,2-5H2,1H3,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

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PCBioAssay
n/an/a 2.17E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40189
PNG
(MLS000520023 | N-(4-ethylphenyl)-5,6-dihydro-4H-cy...)
Show SMILES CCc1ccc(NC(=O)c2noc3CCCc23)cc1
Show InChI InChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-9H,2-5H2,1H3,(H,16,18)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.50E+3n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40189
PNG
(MLS000520023 | N-(4-ethylphenyl)-5,6-dihydro-4H-cy...)
Show SMILES CCc1ccc(NC(=O)c2noc3CCCc23)cc1
Show InChI InChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-9H,2-5H2,1H3,(H,16,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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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
matrix metalloproteinase 1


(Homo sapiens (Human))
BDBM40189
PNG
(MLS000520023 | N-(4-ethylphenyl)-5,6-dihydro-4H-cy...)
Show SMILES CCc1ccc(NC(=O)c2noc3CCCc23)cc1
Show InChI InChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-9H,2-5H2,1H3,(H,16,18)
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PC sid
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PCBioAssay
n/an/an/an/a 4.00E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49738
PNG
(MLS000730256 | N-(3,4-dimethylphenyl)-5,6-dihydro-...)
Show SMILES Cc1ccc(NC(=O)c2noc3CCCc23)cc1C
Show InChI InChI=1S/C15H16N2O2/c1-9-6-7-11(8-10(9)2)16-15(18)14-12-4-3-5-13(12)19-17-14/h6-8H,3-5H2,1-2H3,(H,16,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.12E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair