Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM36971
Substrate
n/a
Meas. Tech.
Dose Response Assays for S1P1 Agonists and Agonism Potentiators - Agonist Assay 60K MLSMR
EC50
10000±n/a nM
Citation
 PubChem, PC Dose Response Assays for S1P1 Agonists and Agonism Potentiators - Agonist Assay 60K MLSMR PubChem Bioassay (2007)[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:
BDBM36971
Synonyms:
2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone | 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone | 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone | MLS000057150 | SMR000063988 | cid_2079854
Type:
Small organic molecule
Emp. Form.:
C23H23N5OS
Mol. Mass.:
417.527
SMILES:
Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c(C)n1C |(3.08,2.66,;4.61,2.5,;5.38,1.16,;6.89,1.49,;8.03,.45,;7.71,-1.05,;9.5,.93,;10.64,-.1,;12.11,.38,;12.58,1.84,;14.12,1.84,;14.6,.38,;16.06,-.1,;17.21,.93,;18.67,.45,;18.99,-1.05,;17.85,-2.08,;16.38,-1.61,;13.35,-.53,;13.35,-2.07,;14.69,-2.84,;14.69,-4.38,;13.35,-5.15,;12.02,-4.38,;12.02,-2.84,;10.68,-2.07,;7.05,3.02,;8.38,3.79,;5.64,3.64,;5.32,5.15,)|
Structure:
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