Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50113982
Substrate
n/a
Meas. Tech.
ChEMBL_1511039 (CHEMBL3607180)
EC50
420±n/a nM
Citation
 Hennessy, EJ; Oza, V; Adam, A; Byth, K; Castriotta, L; Grewal, G; Hamilton, GA; Kamhi, VM; Lewis, P; Li, D; Lyne, P; ึster, L; Rooney, MT; Saeh, JC; Sha, L; Su, Q; Wen, S; Xue, Y; Yang, B Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity. J Med Chem 58:7057-75 (2015) [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:
BDBM50113982
Synonyms:
CHEMBL3605545
Type:
Small organic molecule
Emp. Form.:
C19H24F3N5O2S
Mol. Mass.:
443.486
SMILES:
CCCn1cc(c(C)n1)S(=O)(=O)N[C@H](C)c1nc2ccc(cc2n1CC)C(F)(F)F |r|
Structure:
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