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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 = 'BDBM41662'   
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))
BDBM41662
PNG
(2-(4-morpholinyl)-2-oxo-N-[(1-phenylcyclopentyl)me...)
Show SMILES O=C(NCC1(CCCC1)c1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H24N2O3/c21-16(17(22)20-10-12-23-13-11-20)19-14-18(8-4-5-9-18)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,19,21)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+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/Q2902257
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41662
PNG
(2-(4-morpholinyl)-2-oxo-N-[(1-phenylcyclopentyl)me...)
Show SMILES O=C(NCC1(CCCC1)c1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H24N2O3/c21-16(17(22)20-10-12-23-13-11-20)19-14-18(8-4-5-9-18)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,19,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+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/Q26D5RD0
More data for this
Ligand-Target Pair