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BDBM50467025 CHEMBL4288608

SMILES: CCC\N=C1/S\C(=C/c2ccc(cc2)C(=O)OC)C(=O)N1c1ccccc1C

InChI Key: InChIKey=LKCUYLXBYQBKFP-OFPPLWLTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50467025   
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))		BDBM50467025
PNG
(CHEMBL4288608)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(cc2)C(=O)OC)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C22H22N2O3S/c1-4-13-23-22-24(18-8-6-5-7-15(18)2)20(25)19(28-22)14-16-9-11-17(12-10-16)21(26)27-3/h5-12,14H,4,13H2,1-3H3/b19-14-,23-22-
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n/an/a 316n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay

Bioorg Med Chem Lett 28: 3255-3259 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.044
BindingDB Entry DOI: 10.7270/Q2BG2RPC
More data for this
Ligand-Target Pair