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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 = 'BDBM41743'   
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))
BDBM41743
PNG
(1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-et...)
Show SMILES Cc1cc(C(=O)CN2C(=O)N(C3CCCC3)C(=O)C2=O)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O4/c1-15-12-19(16(2)24(15)13-17-8-4-3-5-9-17)20(27)14-25-21(28)22(29)26(23(25)30)18-10-6-7-11-18/h3-5,8-9,12,18H,6-7,10-11,13-14H2,1-2H3
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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))
BDBM41743
PNG
(1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-et...)
Show SMILES Cc1cc(C(=O)CN2C(=O)N(C3CCCC3)C(=O)C2=O)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O4/c1-15-12-19(16(2)24(15)13-17-8-4-3-5-9-17)20(27)14-25-21(28)22(29)26(23(25)30)18-10-6-7-11-18/h3-5,8-9,12,18H,6-7,10-11,13-14H2,1-2H3
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