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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 5' and Ligand = 'BDBM50559615'   
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 5


(Homo sapiens (Human))
BDBM50559615
PNG
(CHEMBL4765011)
Show SMILES Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CN2CCC(C)(CC2)C(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,(21.06,-7.5,;21.07,-9.04,;19.74,-9.82,;19.73,-11.36,;18.4,-12.13,;17.07,-11.36,;17.08,-9.81,;15.75,-9.04,;14.41,-9.8,;14.41,-11.34,;15.74,-12.12,;13.08,-9.03,;13.09,-7.49,;11.74,-9.79,;11.74,-8.25,;21.07,-12.13,;21.07,-13.67,;22.41,-14.44,;22.41,-15.98,;23.73,-16.74,;25.07,-15.98,;25.06,-17.52,;25.07,-14.44,;23.74,-13.66,;26.4,-16.75,;27.74,-15.98,;26.4,-18.29,;22.4,-11.35,;23.74,-12.12,;25.07,-11.34,;25.06,-9.8,;23.73,-9.04,;22.4,-9.81,)|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.81E+3n/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human S1P5 receptor expressed in Chem-1 cells assessed as EC80 S1P-induced calcium flux measured for 180 secs by F...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00631
BindingDB Entry DOI: 10.7270/Q2D79G4R
More data for this
Ligand-Target Pair