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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 = 'BDBM41681'   
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))
BDBM41681
PNG
(3-(1,3-benzothiazol-2-yl)-1-(4-chlorobenzyl)-2(1H)...)
Show SMILES Clc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1
Show InChI InChI=1S/C19H13ClN2OS/c20-14-9-7-13(8-10-14)12-22-11-3-4-15(19(22)23)18-21-16-5-1-2-6-17(16)24-18/h1-11H,12H2
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PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.43E+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))
BDBM41681
PNG
(3-(1,3-benzothiazol-2-yl)-1-(4-chlorobenzyl)-2(1H)...)
Show SMILES Clc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1
Show InChI InChI=1S/C19H13ClN2OS/c20-14-9-7-13(8-10-14)12-22-11-3-4-15(19(22)23)18-21-16-5-1-2-6-17(16)24-18/h1-11H,12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.89E+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