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SMILES: CCOc1ccc(OCc2cccc(c2)C(=O)N2CCOCC2)cc1

InChI Key: InChIKey=MDWXQHZRMFDQHM-UHFFFAOYSA-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 5 hits for monomerid = 39022   
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
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM39022
PNG
(4-{3-[(4-ethoxyphenoxy)methyl]benzoyl}morpholine |...)
Show SMILES CCOc1ccc(OCc2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C20H23NO4/c1-2-24-18-6-8-19(9-7-18)25-15-16-4-3-5-17(14-16)20(22)21-10-12-23-13-11-21/h3-9,14H,2,10-13,15H2,1H3
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PC sid
UniChem
PCBioAssay
n/an/a>1.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM39022
PNG
(4-{3-[(4-ethoxyphenoxy)methyl]benzoyl}morpholine |...)
Show SMILES CCOc1ccc(OCc2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C20H23NO4/c1-2-24-18-6-8-19(9-7-18)25-15-16-4-3-5-17(14-16)20(22)21-10-12-23-13-11-21/h3-9,14H,2,10-13,15H2,1H3
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n/an/a 3.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM39022
PNG
(4-{3-[(4-ethoxyphenoxy)methyl]benzoyl}morpholine |...)
Show SMILES CCOc1ccc(OCc2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C20H23NO4/c1-2-24-18-6-8-19(9-7-18)25-15-16-4-3-5-17(14-16)20(22)21-10-12-23-13-11-21/h3-9,14H,2,10-13,15H2,1H3
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n/an/a 7.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM39022
PNG
(4-{3-[(4-ethoxyphenoxy)methyl]benzoyl}morpholine |...)
Show SMILES CCOc1ccc(OCc2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C20H23NO4/c1-2-24-18-6-8-19(9-7-18)25-15-16-4-3-5-17(14-16)20(22)21-10-12-23-13-11-21/h3-9,14H,2,10-13,15H2,1H3
PDB
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PC sid
UniChem
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n/an/a>1.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM39022
PNG
(4-{3-[(4-ethoxyphenoxy)methyl]benzoyl}morpholine |...)
Show SMILES CCOc1ccc(OCc2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C20H23NO4/c1-2-24-18-6-8-19(9-7-18)25-15-16-4-3-5-17(14-16)20(22)21-10-12-23-13-11-21/h3-9,14H,2,10-13,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair