BindingDB logo
myBDB logout

null

SMILES: CCc1c(CCCC(O)=O)cccc1-c1cc(ncn1)-c1ccc(OC(C)C)c(c1)C#N

InChI Key: InChIKey=KYDONPSCDWUGQM-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420122   
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))		BDBM50420122
PNG
(CHEMBL2059665)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cc(ncn1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C26H27N3O3/c1-4-21-18(8-6-10-26(30)31)7-5-9-22(21)24-14-23(28-16-29-24)19-11-12-25(32-17(2)3)20(13-19)15-27/h5,7,9,11-14,16-17H,4,6,8,10H2,1-3H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>3.16E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay

J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair