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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 4' and Ligand = 'BDBM50475578'   
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))		BDBM50475578
PNG
(CHEMBL203475)
Show SMILES C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+]([O-])=O)c3nonc23)cc1)COP(O)(O)=O
Show InChI InChI=1S/C25H36N5O8P/c1-25(26,18-37-39(33,34)35)15-14-19-8-10-20(11-9-19)36-17-7-5-3-2-4-6-16-27-21-12-13-22(30(31)32)24-23(21)28-38-29-24/h8-13,27H,2-7,14-18,26H2,1H3,(H2,33,34,35)/t25-/m1/s1
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PC cid
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Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay

Bioorg Med Chem Lett 16: 84-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair