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SMILES: OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1

InChI Key: InChIKey=UFPFMVPHDSUBQY-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 10 hits for monomerid = 485044   
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))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
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n/an/a 93n/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))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/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
Estrogen receptor


(Homo sapiens (Human))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
PDB

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antibodypedia
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PC cid
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UniChem
US Patent
n/an/a 262n/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))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
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n/an/a 93n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 262n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 262n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
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PC sid
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n/an/a 93n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM485044
PNG
(US10934303, Cmpd No. 6d | US10934303, Example 4 | ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO3/c32-22-7-10-29(24-8-3-1-4-9-24)30(25-11-15-27(33)16-12-25)26-13-17-28(18-14-26)34-23-21-31-19-5-2-6-20-31/h1,3-4,8-9,11-18,32-33H,2,5-7,10,19-23H2/b30-29-
PDB
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Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair