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BDBM123449 US8741923, 1

InChI string: InChI=1S/C22H20F3N5O/c1-13-4-2-3-9-30(13)19-8-6-15(10-16(19)22(23,24)25)21-28-20(29-31-21)14-5-7-17-18(11-14)27-12-26-17/h5-8,10-13H,2-4,9H2,1H3,(H,26,27)

SMILES: CC1CCCCN1c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2nc[nH]c2c1

InChI Key: InChIKey=YODWJRXSALLNEY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123449   
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))
BDBM123449
PNG
(US8741923, 1)
Show SMILES CC1CCCCN1c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C22H20F3N5O/c1-13-4-2-3-9-30(13)19-8-6-15(10-16(19)22(23,24)25)21-28-20(29-31-21)14-5-7-17-18(11-14)27-12-26-17/h5-8,10-13H,2-4,9H2,1H3,(H,26,27)
PDB

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US Patent
5n/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