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Compile Data Set for Download or QSAR

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


(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)
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<3.16E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair