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BDBM31066 3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile::3-(1-phenyltetrazol-5-yl)sulfonylpropionitrile::3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]propanenitrile::3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propanenitrile::3-[(1-phenyl-5-tetrazolyl)sulfonyl]propanenitrile::MLS000085949::SMR000021278::cid_3242053

SMILES: O=S(=O)(CCC#N)c1nnnn1-c1ccccc1

InChI Key: InChIKey=NSDKNMSBULTPIG-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 = 31066   
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))
BDBM31066
PNG
(3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile | ...)
Show SMILES O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
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UniChem
n/an/a 2.90E+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)
BDBM31066
PNG
(3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile | ...)
Show SMILES O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
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UniChem
n/an/a 2.79E+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


(Homo sapiens (Human))
BDBM31066
PNG
(3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile | ...)
Show SMILES O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
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UniChem
n/an/an/an/a 3.66E+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 3


(Homo sapiens (human))
BDBM31066
PNG
(3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile | ...)
Show SMILES O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
NCI pathway
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UniChem
n/an/a 3.33E+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
Estrogen receptor


(Homo sapiens (Human))
BDBM31066
PNG
(3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile | ...)
Show SMILES O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
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UniChem
n/an/a>5.00E+4n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM31066
PNG
(3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile | ...)
Show SMILES O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
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UniChem
n/an/a 5.00E+4n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM31066
PNG
(3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile | ...)
Show SMILES O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
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UniChem
n/an/an/an/a 3.55E+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


(Homo sapiens (Human))
BDBM31066
PNG
(3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile | ...)
Show SMILES O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
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UniChem
n/an/an/an/a 1.34E+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