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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM321300'   
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 3


(Homo sapiens (human))
BDBM321300
PNG
(US10179791, Compound 59)
Show SMILES Cc1cc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl2NO4/c1-15-10-19(24)17(20(25)11-15)13-29-16-2-3-18-21(12-16)30-14-23(18)5-8-26(9-6-23)7-4-22(27)28/h2-3,10-12H,4-9,13-14H2,1H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair