BindingDB logo
myBDB logout

null

SMILES: CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1

InChI Key: InChIKey=KGCSNKIBLZANBM-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 = 50420136   
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))		BDBM50420136
PNG
(CHEMBL2059669)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C23H25ClN2O3S/c1-4-17-15(8-6-10-21(27)28)7-5-9-18(17)22-25-23(30-26-22)16-11-12-20(19(24)13-16)29-14(2)3/h5,7,9,11-14H,4,6,8,10H2,1-3H3,(H,27,28)
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 3.98n/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