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BDBM31076 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone::2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidino-ethanone::2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfonyl]-1-piperidin-1-yl-ethanone::2-[[1-(4-methoxyphenyl)-5-tetrazolyl]sulfonyl]-1-(1-piperidinyl)ethanone::MLS000119145::SMR000096080::cid_1263400

SMILES: COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1

InChI Key: InChIKey=PHXZKHFAYUVEHK-UHFFFAOYSA-N

Data: 3 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 6 hits for monomerid = 31076   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM31076
PNG
(2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-pip...)
Show SMILES COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
Show InChI InChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
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UniChem
n/an/a 2.60E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2S46Q8P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31076
PNG
(2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-pip...)
Show SMILES COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
Show InChI InChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
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UniChem
n/an/a 2.61E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31076
PNG
(2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-pip...)
Show SMILES COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
Show InChI InChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
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n/an/a 4.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2D50KC1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM31076
PNG
(2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-pip...)
Show SMILES COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
Show InChI InChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
PDB

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n/an/an/an/a 2.35E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM31076
PNG
(2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-pip...)
Show SMILES COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
Show InChI InChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
PDB

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PC cid
PC sid
UniChem
n/an/an/an/a 5.25E+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


(Homo sapiens (Human))
BDBM31076
PNG
(2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-pip...)
Show SMILES COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
Show InChI InChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
PDB

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UniChem
n/an/an/an/a 9.83E+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