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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 = 'BDBM50305375'   
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))
BDBM50305375
PNG
(3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2Cl)c2C[C@@H]3[C@H](c12)C3(C)C |r|
Show InChI InChI=1S/C19H19ClN2O/c1-11-17-15(10-13-18(17)19(13,2)3)22(21-11)16(23)9-8-12-6-4-5-7-14(12)20/h4-9,13,18H,10H2,1-3H3/b9-8+/t13-,18-/m1/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair