Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM47490
Substrate
n/a
Meas. Tech.
Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1)
EC50
>49800±n/a nM
Citation
 PubChem, PC Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1) PubChem Bioassay (2010)[AID] 
Target
Name:
Sphingosine 1-phosphate receptor 1
Synonyms:
CHEDG1 | EDG1 | Endothelial differentiation G-protein coupled receptor 1 | S1P receptor | S1P1 | S1PR1 | S1PR1_HUMAN | Sphingosine 1-phosphate receptor 1 (S1PR1) | Sphingosine 1-phosphate receptor Edg-1
Type:
Enzyme
Mol. Mass.:
42836.02
Organism:
Homo sapiens (Human)
Description:
P21453
Residue:
382
Sequence:
MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM47490
Synonyms:
2-[2,5-dimethyl-3-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester | 2-[2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester | MLS000576650 | SMR000197118 | cid_1330292 | ethyl 2-[2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | ethyl 2-[2,5-dimethyl-3-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | ethyl 2-{2,5-dimethyl-3-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H23N3O5S
Mol. Mass.:
441.5
SMILES:
CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|
Structure:
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