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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 = 'BDBM41680'   
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))
BDBM41680
PNG
(1-(4-Chloro-phenyl)-5-furan-2-yl-3-thiophen-2-yl-4...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccco1)c1cccs1 |c:9|
Show InChI InChI=1S/C17H13ClN2OS/c18-12-5-7-13(8-6-12)20-15(16-3-1-9-21-16)11-14(19-20)17-4-2-10-22-17/h1-10,15H,11H2
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KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.35E+3n/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))
BDBM41680
PNG
(1-(4-Chloro-phenyl)-5-furan-2-yl-3-thiophen-2-yl-4...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccco1)c1cccs1 |c:9|
Show InChI InChI=1S/C17H13ClN2OS/c18-12-5-7-13(8-6-12)20-15(16-3-1-9-21-16)11-14(19-20)17-4-2-10-22-17/h1-10,15H,11H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.71E+3n/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