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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 = 'BDBM41693'   
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))
BDBM41693
PNG
(3'-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethy...)
Show SMILES Cc1cc(C(=O)CN2C(=O)NC3(CCc4ccccc34)C2=O)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C26H25N3O3/c1-17-14-21(18(2)28(17)15-19-8-4-3-5-9-19)23(30)16-29-24(31)26(27-25(29)32)13-12-20-10-6-7-11-22(20)26/h3-11,14H,12-13,15-16H2,1-2H3,(H,27,32)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>4.40E+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/Q2RX99HM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41693
PNG
(3'-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethy...)
Show SMILES Cc1cc(C(=O)CN2C(=O)NC3(CCc4ccccc34)C2=O)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C26H25N3O3/c1-17-14-21(18(2)28(17)15-19-8-4-3-5-9-19)23(30)16-29-24(31)26(27-25(29)32)13-12-20-10-6-7-11-22(20)26/h3-11,14H,12-13,15-16H2,1-2H3,(H,27,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+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/Q22R3Q2J
More data for this
Ligand-Target Pair