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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 = 'BDBM196260'   
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))
BDBM196260
PNG
(US9670220, 227)
Show SMILES OC(=O)CCCN1CCc2oc(nc2C1)-c1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1
Show InChI InChI=1S/C23H21Cl2FN2O4/c24-16-5-3-14(10-17(16)25)13-31-20-6-4-15(11-18(20)26)23-27-19-12-28(8-1-2-22(29)30)9-7-21(19)32-23/h3-6,10-11H,1-2,7-9,12-13H2,(H,29,30)
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PC cid
PC sid
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US Patent
n/an/an/an/a 1.00E+3n/an/an/a25



Abbvie B.V.; AbbiVie 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 US9670220 (2017)


BindingDB Entry DOI: 10.7270/Q2QJ7FHD
More data for this
Ligand-Target Pair