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BDBM37141 1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazole::1-(3-methoxyphenyl)-5-propylsulfonyl-1,2,3,4-tetrazole::1-(3-methoxyphenyl)-5-propylsulfonyl-tetrazole::1-(3-methoxyphenyl)-5-propylsulfonyltetrazole::MLS000050377::SMR000077670::cid_2215161

SMILES: CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1

InChI Key: InChIKey=XTHHGLXRVBPKSH-UHFFFAOYSA-N

Data: 5 IC50  3 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 8 hits for monomerid = 37141   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37141
PNG
(1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazol...)
Show SMILES CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
Show InChI InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
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n/an/an/an/a 3.19E+3n/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/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37141
PNG
(1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazol...)
Show SMILES CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
Show InChI InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
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n/an/an/an/a 988n/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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37141
PNG
(1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazol...)
Show SMILES CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
Show InChI InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
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n/an/an/an/a 2.82E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM37141
PNG
(1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazol...)
Show SMILES CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
Show InChI InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
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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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM37141
PNG
(1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazol...)
Show SMILES CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
Show InChI InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
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n/an/a 9.34E+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
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM37141
PNG
(1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazol...)
Show SMILES CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
Show InChI InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
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n/an/a 7.63E+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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM37141
PNG
(1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazol...)
Show SMILES CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
Show InChI InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
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n/an/a 8.78E+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))
BDBM37141
PNG
(1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazol...)
Show SMILES CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
Show InChI InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
PDB
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n/an/a 4.96E+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