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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 2' and Ligand = 'BDBM39093'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM39093
PNG
(6-tert-butyl-3-(3-methoxyphenyl)-7H-[1,2,4]triazol...)
Show SMILES COc1cccc(c1)-c1nnc2SCC(=Nn12)C(C)(C)C |c:15|
Show InChI InChI=1S/C15H18N4OS/c1-15(2,3)12-9-21-14-17-16-13(19(14)18-12)10-6-5-7-11(8-10)20-4/h5-8H,9H2,1-4H3
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.07E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ027W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM39093
PNG
(6-tert-butyl-3-(3-methoxyphenyl)-7H-[1,2,4]triazol...)
Show SMILES COc1cccc(c1)-c1nnc2SCC(=Nn12)C(C)(C)C |c:15|
Show InChI InChI=1S/C15H18N4OS/c1-15(2,3)12-9-21-14-17-16-13(19(14)18-12)10-6-5-7-11(8-10)20-4/h5-8H,9H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.31E+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/Q2B56H4Q
More data for this
Ligand-Target Pair