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SMILES: OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1

InChI Key: InChIKey=YAZOPMJURQIDRH-FLWNBWAVSA-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 12 hits for monomerid = 485073   
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))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
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n/an/a 79n/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)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
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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)

More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
PDB

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antibodypedia
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PC sid
UniChem
US Patent
n/an/a 8.13E+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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
PDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 437n/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)

More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
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n/an/a 79n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 437n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 8.13E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 437n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
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PC cid
PC sid
UniChem
n/an/a 79n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 8.13E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM485073
PNG
(US10934303, Cmpd No. 38a | US10934303, Example 106...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
Show InChI InChI=1S/C30H33NO3/c32-17-4-7-29(22-5-2-1-3-6-22)30(23-8-12-27(33)13-9-23)24-10-14-28(15-11-24)34-18-16-31-20-25-19-26(25)21-31/h1-3,5-6,8-15,25-26,32-33H,4,7,16-21H2/b30-29-
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UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair