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BDBM130396 US8822510, 98

SMILES: OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCCC3(CCCCC3)c3ccc(Cl)cc3)n2)C1

InChI Key: InChIKey=UNJNWPVDARHCMQ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 130396   
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


(Homo sapiens (Human))
BDBM130396
PNG
(US8822510, 98)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCCC3(CCCCC3)c3ccc(Cl)cc3)n2)C1
Show InChI InChI=1S/C28H32ClN3O3/c29-24-12-10-23(11-13-24)28(14-2-1-3-15-28)16-4-5-25-30-26(31-35-25)21-8-6-20(7-9-21)17-32-18-22(19-32)27(33)34/h6-13,22H,1-5,14-19H2,(H,33,34)
PDB

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PC sid
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Similars

US Patent
n/an/a 0.540n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...


US Patent US8822510 (2014)


BindingDB Entry DOI: 10.7270/Q2H70DHC
More data for this
Ligand-Target Pair