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SMILES: CC[C@@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)ccc1F)c1ccc(Cl)c(C)c1

InChI Key: InChIKey=ZLCVWXMTJUXWJQ-YLJYHZDGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 127529   
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))		BDBM127529
PNG
(US8791100, 27)
Show SMILES CC[C@@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)ccc1F)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H26ClFN2O2/c1-3-20(16-5-6-18(23)14(2)10-16)25-21-11-15(4-7-19(21)24)12-26-9-8-17(13-26)22(27)28/h4-7,10-11,17,20,25H,3,8-9,12-13H2,1-2H3,(H,27,28)/t17-,20-/m1/s1
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Similars
US Patent
n/an/a 10.6n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair