BindingDB logo
myBDB logout

2 similar compounds to monomer 129587

Wt: 465.5
BDBM129583
Wt: 491.5
BDBM129584

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 129583,129584   
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))
BDBM129584
PNG
(US8802663, 97)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cnn(C3CCCCC3)c2C2CCOCC2)C1
Show InChI InChI=1S/C27H33N5O4/c33-27(34)21-16-31(17-21)15-18-6-8-20(9-7-18)25-29-26(36-30-25)23-14-28-32(22-4-2-1-3-5-22)24(23)19-10-12-35-13-11-19/h6-9,14,19,21-22H,1-5,10-13,15-17H2,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
0.700n/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
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM129583
PNG
(US8802663, 96)
Show SMILES CC(C)Cn1ncc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1C1CCOCC1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)12-30-22(18-7-9-33-10-8-18)21(11-26-30)24-27-23(28-34-24)19-5-3-17(4-6-19)13-29-14-20(15-29)25(31)32/h3-6,11,16,18,20H,7-10,12-15H2,1-2H3,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
6.5n/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 355-GTPgammaS binding studies. Cells wer...


US Patent US8802663 (2014)

More data for this
Ligand-Target Pair