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BDBM60834 US9181182, 30

SMILES: COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1

InChI Key: InChIKey=CCMKNYBXIICBNT-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 60834   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM60834
PNG
(US9181182, 30)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C31H38N4O4/c1-38-27-5-3-24(12-25(27)30-13-19-8-20(14-30)10-21(9-19)15-30)29-33-28(34-39-29)23-2-4-26-22(11-23)6-7-35(26)16-31(32,17-36)18-37/h2-5,11-12,19-21,36-37H,6-10,13-18,32H2,1H3
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PC cid
PC sid
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US Patent
n/an/an/an/a>5.54E+4n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair