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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 = 'BDBM50185143'   
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))
BDBM50185143
PNG
((+/-)-2-(cis-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-ox...)
Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C26H29N3O3/c30-24(31)16-22-14-15-23(27-22)19-8-10-20(11-9-19)25-28-26(32-29-25)21-12-6-18(7-13-21)17-4-2-1-3-5-17/h6-13,17,22-23,27H,1-5,14-16H2,(H,30,31)/t22-,23+/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from S1P1 expressed in CHO cells


Bioorg Med Chem Lett 16: 2905-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK
More data for this
Ligand-Target Pair