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BDBM129587 US8802663, 102

InChI string: InChI=1S/C26H33N5O4/c32-23(33)10-13-27-16-18-6-8-20(9-7-18)25-29-26(35-30-25)22-17-28-31(21-4-2-1-3-5-21)24(22)19-11-14-34-15-12-19/h6-9,17,19,21,27H,1-5,10-16H2,(H,32,33)

SMILES: OC(=O)CCNCc1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1C1CCOCC1

InChI Key: InChIKey=WAYNBMBPQQQKCR-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 129587   
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))
BDBM129587
PNG
(US8802663, 102)
Show SMILES OC(=O)CCNCc1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1C1CCOCC1
Show InChI InChI=1S/C26H33N5O4/c32-23(33)10-13-27-16-18-6-8-20(9-7-18)25-29-26(35-30-25)22-17-28-31(21-4-2-1-3-5-21)24(22)19-11-14-34-15-12-19/h6-9,17,19,21,27H,1-5,10-16H2,(H,32,33)
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Similars

AffyNet 
US Patent
0.800n/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 355-GTPgammaS binding studies. Cells wer...


US Patent US8802663 (2014)

More data for this
Ligand-Target Pair