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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 4' and Ligand = 'BDBM50041979'   
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 4


(Homo sapiens (Human))
BDBM50041979
PNG
(CHEMBL3359520)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N
Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(H,27,28)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor by beta-arrestin recruitment assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50041979
PNG
(CHEMBL3359520)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N
Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor by beta-arrestin recruitment assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair