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BDBM50356266 CHEMBL1910802

SMILES: COCC\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C

InChI Key: InChIKey=LSERAJDQIVQLQK-DPBNUBQISA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50356266   
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 5


(Homo sapiens (Human))
BDBM50356266
PNG
(CHEMBL1910802)
Show SMILES COCC\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C
Show InChI InChI=1S/C21H25N3O2S/c1-15-12-18(16(2)24(15)14-17-8-6-5-7-9-17)13-19-20(25)23(3)21(27-19)22-10-11-26-4/h5-9,12-13H,10-11,14H2,1-4H3/b19-13-,22-21-
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 196n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor


Bioorg Med Chem Lett 21: 6739-45 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50356266
PNG
(CHEMBL1910802)
Show SMILES COCC\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C
Show InChI InChI=1S/C21H25N3O2S/c1-15-12-18(16(2)24(15)14-17-8-6-5-7-9-17)13-19-20(25)23(3)21(27-19)22-10-11-26-4/h5-9,12-13H,10-11,14H2,1-4H3/b19-13-,22-21-
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 68n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses...


Bioorg Med Chem Lett 21: 6739-45 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP
More data for this
Ligand-Target Pair