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BDBM101099 US8524917, 72

SMILES: CO\N=C(\C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1

InChI Key: InChIKey=AGADZVZMAMJOOU-OHUYPAJKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101099   
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))
BDBM101099
PNG
(US8524917, 72)
Show SMILES CO\N=C(\C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1
Show InChI InChI=1S/C28H28F2N4O3/c1-17(2)37-21-9-10-22-25(14-21)34(16-20-7-5-6-12-31-20)27(18(3)33-36-4)26(22)28(35)32-15-19-8-11-23(29)24(30)13-19/h5-14,17H,15-16H2,1-4H3,(H,32,35)/b33-18-
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 263n/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