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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 5' and Ligand = 'BDBM50559628'   
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))
BDBM50559628
PNG
(CHEMBL4798593)
Show SMILES Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CNCCC(O)=O)c2ccccc12 |r,wU:5.4,wD:8.11,(15.03,-5.2,;15.04,-6.74,;13.71,-7.51,;13.71,-9.06,;12.37,-9.83,;11.04,-9.06,;9.71,-9.82,;8.38,-9.04,;8.38,-7.5,;9.72,-6.74,;11.05,-7.51,;7.05,-6.72,;7.06,-5.18,;5.72,-7.49,;5.71,-5.95,;15.04,-9.83,;15.04,-11.37,;16.38,-12.14,;17.71,-11.36,;19.05,-12.13,;20.38,-11.36,;21.72,-12.12,;20.38,-9.82,;16.37,-9.05,;17.71,-9.82,;19.04,-9.04,;19.04,-7.49,;17.7,-6.73,;16.37,-7.51,)|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human S1P5 receptor expressed in Chem-1 cell membrane by 33P-SIP binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00631
BindingDB Entry DOI: 10.7270/Q2D79G4R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50559628
PNG
(CHEMBL4798593)
Show SMILES Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CNCCC(O)=O)c2ccccc12 |r,wU:5.4,wD:8.11,(15.03,-5.2,;15.04,-6.74,;13.71,-7.51,;13.71,-9.06,;12.37,-9.83,;11.04,-9.06,;9.71,-9.82,;8.38,-9.04,;8.38,-7.5,;9.72,-6.74,;11.05,-7.51,;7.05,-6.72,;7.06,-5.18,;5.72,-7.49,;5.71,-5.95,;15.04,-9.83,;15.04,-11.37,;16.38,-12.14,;17.71,-11.36,;19.05,-12.13,;20.38,-11.36,;21.72,-12.12,;20.38,-9.82,;16.37,-9.05,;17.71,-9.82,;19.04,-9.04,;19.04,-7.49,;17.7,-6.73,;16.37,-7.51,)|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.100n/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