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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50165370'   
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 3


(Homo sapiens (Human))		BDBM50165370
PNG
(CHEMBL3799923)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CN(C)CCN(C)C)s1 |r|
Show InChI InChI=1S/C27H39N5O5S/c1-7-19-12-20(10-18(3)25(19)36-16-21(34)13-28-24(35)15-33)26-29-27(37-30-26)22-11-17(2)23(38-22)14-32(6)9-8-31(4)5/h10-12,21,33-34H,7-9,13-16H2,1-6H3,(H,28,35)/t21-/m0/s1
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair