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1 similar compounds to monomer 38971

Compile data set for download or QSAR
Wt: 468.5
BDBM37174
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 37174   
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))
BDBM37174
PNG
(MLS000120226 | SMR000097143 | [4-(2,3-dimethylphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C25H28N2O5S/c1-18-5-4-6-23(19(18)2)26-13-15-27(16-14-26)25(28)24-12-9-21(32-24)17-33(29,30)22-10-7-20(31-3)8-11-22/h4-12H,13-17H2,1-3H3
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B.MOAD
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PC cid
PC sid
UniChem

Similars

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))
BDBM37174
PNG
(MLS000120226 | SMR000097143 | [4-(2,3-dimethylphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C25H28N2O5S/c1-18-5-4-6-23(19(18)2)26-13-15-27(16-14-26)25(28)24-12-9-21(32-24)17-33(29,30)22-10-7-20(31-3)8-11-22/h4-12H,13-17H2,1-3H3
PDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.40E+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))
BDBM37174
PNG
(MLS000120226 | SMR000097143 | [4-(2,3-dimethylphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C25H28N2O5S/c1-18-5-4-6-23(19(18)2)26-13-15-27(16-14-26)25(28)24-12-9-21(32-24)17-33(29,30)22-10-7-20(31-3)8-11-22/h4-12H,13-17H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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/Q25X2795
More data for this
Ligand-Target Pair