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SMILES: CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc(cc1)C1=CCN(CC(N)(CO)CO)CC1

InChI Key: InChIKey=AQRHEFWHYGYROC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 190516   
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))		BDBM190516
PNG
(US9181182, 58)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc(cc1)C1=CCN(CC(N)(CO)CO)CC1 |t:26|
Show InChI InChI=1S/C27H34N4O5/c1-3-34-23-10-9-22(15-24(23)35-4-2)26-29-25(30-36-26)21-7-5-19(6-8-21)20-11-13-31(14-12-20)16-27(28,17-32)18-33/h5-11,15,32-33H,3-4,12-14,16-18,28H2,1-2H3
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US Patent
n/an/an/an/a>2.06E+3n/an/an/a30



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...

US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair