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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50305378'   
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 1


(Homo sapiens (Human))
BDBM50305378
PNG
(4-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C |r|
Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)9-6-12-4-7-13(8-5-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b9-6+/t14-,18-/m1/s1
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n/an/an/an/a 119n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells 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