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BDBM129582 US8802663, 79

InChI string: InChI=1S/C25H26N6O3/c1-16(2)12-31-22(18-7-9-26-10-8-18)21(11-27-31)24-28-23(29-34-24)19-5-3-17(4-6-19)13-30-14-20(15-30)25(32)33/h3-11,16,20H,12-15H2,1-2H3,(H,32,33)

SMILES: CC(C)Cn1ncc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1-c1ccncc1

InChI Key: InChIKey=CWGKSOFDLUEKHW-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 129582   
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))
BDBM129582
PNG
(US8802663, 79)
Show SMILES CC(C)Cn1ncc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1-c1ccncc1
Show InChI InChI=1S/C25H26N6O3/c1-16(2)12-31-22(18-7-9-26-10-8-18)21(11-27-31)24-28-23(29-34-24)19-5-3-17(4-6-19)13-30-14-20(15-30)25(32)33/h3-11,16,20H,12-15H2,1-2H3,(H,32,33)
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Similars

AffyNet 
US Patent
2.30n/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