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SMILES: OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1

InChI Key: InChIKey=YLKRJAAONQIOQR-NVQSTNCTSA-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 8 hits for monomerid = 485070   
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-related receptor gamma


(Homo sapiens (Human))
BDBM485070
PNG
(US10934303, Cmpd No. 22q | US10934303, Example 68 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
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n/an/a 53n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM485070
PNG
(US10934303, Cmpd No. 22q | US10934303, Example 68 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
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n/an/a>1.00E+4n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485070
PNG
(US10934303, Cmpd No. 22q | US10934303, Example 68 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
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n/an/a 2.00E+3n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485070
PNG
(US10934303, Cmpd No. 22q | US10934303, Example 68 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
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n/an/a 1.66E+3n/an/an/an/an/an/a


TBA

Assay Description
In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25D8W20
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485070
PNG
(US10934303, Cmpd No. 22q | US10934303, Example 68 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
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n/an/a 53n/an/an/an/an/an/a


TBA

Assay Description
In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25D8W20
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM485070
PNG
(US10934303, Cmpd No. 22q | US10934303, Example 68 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25D8W20
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485070
PNG
(US10934303, Cmpd No. 22q | US10934303, Example 68 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
PDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25D8W20
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485070
PNG
(US10934303, Cmpd No. 22q | US10934303, Example 68 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.66E+3n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair