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BDBM31347 2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide::2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanamide::2-(3,4-dimethoxyphenyl)-N-[3-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide::2-(3,4-dimethoxyphenyl)-N-{3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide::MLS000052465::SMR000081883::cid_2233014

SMILES: COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC

InChI Key: InChIKey=NZNDHONHDGUXHY-UHFFFAOYSA-N

Data: 13 IC50  1 EC50

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 14 hits for monomerid = 31347   
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
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 1.76E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FQ9TZS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a>4.98E+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/Q2XD102D
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a>3.67E+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)
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 4.51E+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
Complement C1s


(Homo sapiens (Human))
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 5.90E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 5.25E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 3.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 1.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 5.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q228061X
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 5.25E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens)
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 6.63E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/an/an/a 2.95E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22N50RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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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