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SMILES: CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1

InChI Key: InChIKey=MKUMTSLGVISSNT-UHFFFAOYSA-N

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 3 hits for monomerid = 37282   
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))
BDBM37282
PNG
(1-(2-dibenzofuranylsulfonyl)-N,N-diethyl-4-piperid...)
Show SMILES CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C22H26N2O4S/c1-3-23(4-2)22(25)16-11-13-24(14-12-16)29(26,27)17-9-10-21-19(15-17)18-7-5-6-8-20(18)28-21/h5-10,15-16H,3-4,11-14H2,1-2H3
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PC sid
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PCBioAssay
n/an/an/an/a>3.00E+4n/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))
BDBM37282
PNG
(1-(2-dibenzofuranylsulfonyl)-N,N-diethyl-4-piperid...)
Show SMILES CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C22H26N2O4S/c1-3-23(4-2)22(25)16-11-13-24(14-12-16)29(26,27)17-9-10-21-19(15-17)18-7-5-6-8-20(18)28-21/h5-10,15-16H,3-4,11-14H2,1-2H3
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PCBioAssay
n/an/an/an/a 3.17E+4n/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 1


(Homo sapiens (Human))
BDBM37282
PNG
(1-(2-dibenzofuranylsulfonyl)-N,N-diethyl-4-piperid...)
Show SMILES CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C22H26N2O4S/c1-3-23(4-2)22(25)16-11-13-24(14-12-16)29(26,27)17-9-10-21-19(15-17)18-7-5-6-8-20(18)28-21/h5-10,15-16H,3-4,11-14H2,1-2H3
PDB

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antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a>9.51E+4n/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