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SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ccccn1

InChI Key: InChIKey=BOQFVCSMARTKHC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101118   
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 3


(Homo sapiens (Human))		BDBM101118
PNG
(US8524917, 91)
Show SMILES CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ccccn1
Show InChI InChI=1S/C28H24F2N4O2S/c1-17(2)26-25(27(35)33-15-18-6-9-22(29)23(30)13-18)21-8-7-20(36-28-32-11-12-37-28)14-24(21)34(26)16-19-5-3-4-10-31-19/h3-14,17H,15-16H2,1-2H3,(H,33,35)
PDB

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Similars
US Patent
n/an/a 5n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Inhibition assay using sphingosine-1-phosphate receptor 3.

US Patent US8524917 (2013)


BindingDB Entry DOI: 10.7270/Q2G15ZG2
More data for this
Ligand-Target Pair