Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50553295
Substrate
n/a
Meas. Tech.
ChEMBL_2046159 (CHEMBL4700858)
IC50
200±n/a nM
Citation
 Bell, M; Foley, D; Naylor, C; Wood, G; Robinson, C; Riley, J; Epemolu, O; Ellis, L; Scullion, P; Shishikura, Y; Osuna-Cabello, M; Ferguson, L; Pinto, E; Fletcher, D; Katz, E; McLean, WHI; Wyatt, P; Read, KD; Woodland, A Discovery of Soft-Drug Topical Tool Modulators of Sphingosine-1-phosphate Receptor 1 (S1PR1). ACS Med Chem Lett 10:341-347 (2019) [PubMed]  Article 
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:
BDBM50553295
Synonyms:
CHEMBL4758919
Type:
Small organic molecule
Emp. Form.:
C21H17ClF2N2O2S
Mol. Mass.:
434.887
SMILES:
Cc1ccccc1N1C(=O)\C(S\C1=N/C1CC(F)(F)C1)=C\c1ccc(O)c(Cl)c1
Structure:
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