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BDBM50136346 CHEMBL3754270

SMILES: CC(C)Cc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl

InChI Key: InChIKey=ZMDMBZLDKVZLCF-YQTOOIBONA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50136346   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50136346
PNG
(CHEMBL3754270)
Show SMILES CC(C)Cc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl
Show InChI InChI=1/C21H24ClFN4O2S/c1-11(2)4-15-6-13(5-12(3)25-15)20-26-27-21(30-20)16-7-18(23)19(8-17(16)22)29-10-14(24)9-28/h5-8,11,14,28H,4,9-10,24H2,1-3H3/t14-/s2
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Article
PubMed
n/an/an/an/a 0.800n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...


Bioorg Med Chem Lett 26: 466-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.090
BindingDB Entry DOI: 10.7270/Q2GX4DD4
More data for this
Ligand-Target Pair