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BDBM139209 US8889668, I57

InChI string: InChI=1S/C21H15F3N2O2S/c1-12-10-29-11-16(12)14-8-7-13(9-17(14)21(22,23)24)20-25-19(26-28-20)15-5-3-4-6-18(15)27-2/h3-11H,1-2H3

SMILES: COc1ccccc1-c1noc(n1)-c1ccc(-c2cscc2C)c(c1)C(F)(F)F

InChI Key: InChIKey=SYLZTBLKSBWRHA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139209   
Target
(Institution)
LigandTarget
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 (S1P1)


(Homo sapiens (Human))
BDBM139209
PNG
(US8889668, I57)
Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(-c2cscc2C)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N2O2S/c1-12-10-29-11-16(12)14-8-7-13(9-17(14)21(22,23)24)20-25-19(26-28-20)15-5-3-4-6-18(15)27-2/h3-11H,1-2H3
PDB

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Similars

AffyNet 
US Patent
2n/an/an/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...


US Patent US8889668 (2014)

More data for this
Ligand-Target Pair