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BDBM123459 US8741923, 24

InChI string: InChI=1S/C21H16N4O2S/c1-12-10-28-11-17(12)16-5-3-14(8-19(16)26-2)21-23-20(25-27-21)13-4-6-18-15(7-13)9-22-24-18/h3-11H,1-2H3,(H,22,24)

SMILES: COc1cc(ccc1-c1cscc1C)-c1nc(no1)-c1ccc2[nH]ncc2c1

InChI Key: InChIKey=IVCVUXCRPCQXJC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123459   
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))
BDBM123459
PNG
(US8741923, 24)
Show SMILES COc1cc(ccc1-c1cscc1C)-c1nc(no1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C21H16N4O2S/c1-12-10-28-11-17(12)16-5-3-14(8-19(16)26-2)21-23-20(25-27-21)13-4-6-18-15(7-13)9-22-24-18/h3-11H,1-2H3,(H,22,24)
PDB

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US Patent
3n/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