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BDBM123463 US8741923, 36

InChI string: InChI=1S/C27H22F3N3O3/c1-16-4-2-3-5-21(16)22-9-8-19(13-23(22)27(28,29)30)26-31-25(32-36-26)18-7-6-17-10-11-33(15-24(34)35)14-20(17)12-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,34,35)

SMILES: Cc1ccccc1-c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2CCN(CC(O)=O)Cc2c1

InChI Key: InChIKey=XSEWIUDRNWBCRZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123463   
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))
BDBM123463
PNG
(US8741923, 36)
Show SMILES Cc1ccccc1-c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2CCN(CC(O)=O)Cc2c1
Show InChI InChI=1S/C27H22F3N3O3/c1-16-4-2-3-5-21(16)22-9-8-19(13-23(22)27(28,29)30)26-31-25(32-36-26)18-7-6-17-10-11-33(15-24(34)35)14-20(17)12-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,34,35)
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Similars

AffyNet 
US Patent
0.490n/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-GTPγS binding studies. Cells we...


US Patent US8741923 (2014)

More data for this
Ligand-Target Pair