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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 = 'BDBM41644'   
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))
BDBM41644
PNG
(4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-N-phenyl...)
Show SMILES O=C(CCC(=O)N1CCc2ccccc12)Nc1ccccc1
Show InChI InChI=1S/C18H18N2O2/c21-17(19-15-7-2-1-3-8-15)10-11-18(22)20-13-12-14-6-4-5-9-16(14)20/h1-9H,10-13H2,(H,19,21)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

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))
BDBM41644
PNG
(4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-N-phenyl...)
Show SMILES O=C(CCC(=O)N1CCc2ccccc12)Nc1ccccc1
Show InChI InChI=1S/C18H18N2O2/c21-17(19-15-7-2-1-3-8-15)10-11-18(22)20-13-12-14-6-4-5-9-16(14)20/h1-9H,10-13H2,(H,19,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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