Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50136453
Substrate
n/a
Meas. Tech.
ChEMBL_1548095 (CHEMBL3757927)
EC50
550±n/a nM
Citation
 Horan, JC; Kuzmich, D; Liu, P; DiSalvo, D; Lord, J; Mao, C; Hopkins, TD; Yu, H; Harcken, C; Betageri, R; Hill-Drzewi, M; Patenaude, L; Patel, M; Fletcher, K; Terenzzio, D; Linehan, B; Xia, H; Patel, M; Studwell, D; Miller, C; Hickey, E; Levin, JI; Smith, D; Kemper, RA; Modis, LK; Bannen, LC; Chan, DS; Mac, MB; Ng, S; Wang, Y; Xu, W; Lemieux, RM Late-stage optimization of a tercyclic class of S1P3-sparing, S1P1 receptor agonists. Bioorg Med Chem Lett 26:466-71 (2016) [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:
BDBM50136453
Synonyms:
CHEMBL3752624
Type:
Small organic molecule
Emp. Form.:
C22H23ClFN5O3S
Mol. Mass.:
491.966
SMILES:
CC(C)Nc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H]2CNC(=O)CO2)cc1Cl |r|
Structure:
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