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SMILES: CCc1cc(cc(C)c1CCC(=O)NCCO)-c1noc(n1)-c1cnc(N(C)C(C)C)c(CC)c1

InChI Key: InChIKey=MWZONTJTCSEPGI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50165435   
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))		BDBM50165435
PNG
(CHEMBL3799324)
Show SMILES CCc1cc(cc(C)c1CCC(=O)NCCO)-c1noc(n1)-c1cnc(N(C)C(C)C)c(CC)c1
Show InChI InChI=1S/C27H37N5O3/c1-7-19-14-21(13-18(5)23(19)9-10-24(34)28-11-12-33)25-30-27(35-31-25)22-15-20(8-2)26(29-16-22)32(6)17(3)4/h13-17,33H,7-12H2,1-6H3,(H,28,34)
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n/an/an/an/a 5.10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair