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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 = 'BDBM41617'   
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))
BDBM41617
PNG
(N-(dimethylaminomethylene)-3-(2-thienyl)-6-(triflu...)
Show SMILES CN(C)\C=N\C(=O)c1sc2cc(cnc2c1-c1cccs1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3OS2/c1-22(2)8-21-15(23)14-12(10-4-3-5-24-10)13-11(25-14)6-9(7-20-13)16(17,18)19/h3-8H,1-2H3/b21-8+
PDB

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n/an/a>3.00E+4n/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
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41617
PNG
(N-(dimethylaminomethylene)-3-(2-thienyl)-6-(triflu...)
Show SMILES CN(C)\C=N\C(=O)c1sc2cc(cnc2c1-c1cccs1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3OS2/c1-22(2)8-21-15(23)14-12(10-4-3-5-24-10)13-11(25-14)6-9(7-20-13)16(17,18)19/h3-8H,1-2H3/b21-8+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.00E+4n/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