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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 = 'BDBM506619'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM506619
PNG
(US11046646, Example 15)
Show SMILES CCCCCCCCc1cc(C)c(N2CCC(N)(COP(O)(O)=O)C2=O)c(C)c1
Show InChI InChI=1S/C21H35N2O5P/c1-4-5-6-7-8-9-10-18-13-16(2)19(17(3)14-18)23-12-11-21(22,20(23)24)15-28-29(25,26)27/h13-14H,4-12,15,22H2,1-3H3,(H2,25,26,27)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.44E+4n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US11046646 (2021)

More data for this
Ligand-Target Pair