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BDBM50475576 CHEMBL199791

SMILES: CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O

InChI Key: InChIKey=LDACFZBJXUAJHJ-AMXOMPAFSA-N

Data: 4 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 4 hits for monomerid = 50475576   
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))
BDBM50475576
PNG
(CHEMBL199791)
Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15+/m0/s1
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PC sid
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PubMed
n/an/an/an/a 2n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding potency at human S1P5 receptor by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 16: 84-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50475576
PNG
(CHEMBL199791)
Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15+/m0/s1
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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 16: 84-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50475576
PNG
(CHEMBL199791)
Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15+/m0/s1
PDB

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PC sid
UniChem
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PubMed
n/an/an/an/a 0.178n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding potency at human S1P3 receptor by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 16: 84-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50475576
PNG
(CHEMBL199791)
Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15+/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 16: 84-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair