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BDBM101087 US8524917, 60

SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(cc2n1Cc1ccccc1)-c1nnco1

InChI Key: InChIKey=JRPPHTCHABUGFY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101087   
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 3


(Homo sapiens (Human))
BDBM101087
PNG
(US8524917, 60)
Show SMILES CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(cc2n1Cc1ccccc1)-c1nnco1
Show InChI InChI=1S/C28H24F2N4O2/c1-17(2)26-25(27(35)31-14-19-8-11-22(29)23(30)12-19)21-10-9-20(28-33-32-16-36-28)13-24(21)34(26)15-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,31,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 59n/an/an/an/an/an/a



Allergan Inc

US Patent


Assay Description
Inhibition assay using sphingosine-1-phosphate receptor 3.


US Patent US8524917 (2013)


BindingDB Entry DOI: 10.7270/Q2G15ZG2
More data for this
Ligand-Target Pair