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BDBM123464 US8741923, 37

InChI string: InChI=1S/C27H29F3N4O3/c1-17-4-2-3-11-34(17)23-8-7-20(15-22(23)27(28,29)30)26-31-25(32-37-26)19-6-5-18-9-12-33(13-10-24(35)36)16-21(18)14-19/h5-8,14-15,17H,2-4,9-13,16H2,1H3,(H,35,36)

SMILES: CC1CCCCN1c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2CCN(CCC(O)=O)Cc2c1

InChI Key: InChIKey=PZQFUZZCRSCJMG-UHFFFAOYSA-N

Data: 1 KI

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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 = 123464   
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))
BDBM123464
PNG
(US8741923, 37)
Show SMILES CC1CCCCN1c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2CCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C27H29F3N4O3/c1-17-4-2-3-11-34(17)23-8-7-20(15-22(23)27(28,29)30)26-31-25(32-37-26)19-6-5-18-9-12-33(13-10-24(35)36)16-21(18)14-19/h5-8,14-15,17H,2-4,9-13,16H2,1H3,(H,35,36)
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Similars

AffyNet 
US Patent
0.75n/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