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BDBM50347153 CHEMBL1797502

SMILES: COc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O

InChI Key: InChIKey=RZVBWPXYDFOCRF-YRNVUSSQSA-N

Data: 2 EC50

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 2 hits for monomerid = 50347153   
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))
BDBM50347153
PNG
(CHEMBL1797502)
Show SMILES COc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO4/c1-27-22-18-21(28-17-6-5-10-19-8-3-2-4-9-19)13-12-20(22)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 230n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347153
PNG
(CHEMBL1797502)
Show SMILES COc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO4/c1-27-22-18-21(28-17-6-5-10-19-8-3-2-4-9-19)13-12-20(22)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair