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BDBM39023 MLS000100028::N-(2-phenoxyethyl)-1,3-benzodioxole-5-carboxamide::N-(2-phenoxyethyl)-piperonylamide::SMR000081710::cid_1811255

SMILES: O=C(NCCOc1ccccc1)c1ccc2OCOc2c1

InChI Key: InChIKey=NYJFWCJPGGMXFZ-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 39023   
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))
BDBM39023
PNG
(MLS000100028 | N-(2-phenoxyethyl)-1,3-benzodioxole...)
Show SMILES O=C(NCCOc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H15NO4/c18-16(12-6-7-14-15(10-12)21-11-20-14)17-8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,17,18)
PDB
MMDB

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PC cid
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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39023
PNG
(MLS000100028 | N-(2-phenoxyethyl)-1,3-benzodioxole...)
Show SMILES O=C(NCCOc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H15NO4/c18-16(12-6-7-14-15(10-12)21-11-20-14)17-8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,17,18)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.40E+4n/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))
BDBM39023
PNG
(MLS000100028 | N-(2-phenoxyethyl)-1,3-benzodioxole...)
Show SMILES O=C(NCCOc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H15NO4/c18-16(12-6-7-14-15(10-12)21-11-20-14)17-8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,17,18)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.86E+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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39023
PNG
(MLS000100028 | N-(2-phenoxyethyl)-1,3-benzodioxole...)
Show SMILES O=C(NCCOc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H15NO4/c18-16(12-6-7-14-15(10-12)21-11-20-14)17-8-9-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.13E+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