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BDBM129610 US8802663, 151

InChI string: InChI=1S/C26H26N8O/c1-2-4-22(5-3-1)34-24(20-10-13-27-14-11-20)23(16-29-34)26-31-25(32-35-26)21-8-6-19(7-9-21)12-15-33-18-28-17-30-33/h6-11,13-14,16-18,22H,1-5,12,15H2

SMILES: C(Cn1cncn1)c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1

InChI Key: InChIKey=SOZUDUJHKPGXRU-UHFFFAOYSA-N

Data: 1 KI

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

Found 1 hit for monomerid = 129610   
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))
BDBM129610
PNG
(US8802663, 151)
Show SMILES C(Cn1cncn1)c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1
Show InChI InChI=1S/C26H26N8O/c1-2-4-22(5-3-1)34-24(20-10-13-27-14-11-20)23(16-29-34)26-31-25(32-35-26)21-8-6-19(7-9-21)12-15-33-18-28-17-30-33/h6-11,13-14,16-18,22H,1-5,12,15H2
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Similars

AffyNet 
US Patent
4.60n/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