Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50169441
Substrate
n/a
Meas. Tech.
ChEMBL_1578107 (CHEMBL3807062)
IC50
0.010000±n/a nM
Citation
 Dhar, TG; Xiao, HY; Xie, J; Lehman-McKeeman, LD; Wu, DR; Dabros, M; Yang, X; Taylor, TL; Zhou, XD; Heimrich, EM; Thomas, R; McIntyre, KW; Warrack, B; Shi, H; Levesque, PC; Zhu, JL; Hennan, J; Balimane, P; Yang, Z; Marino, AM; Cornelius, G; D'Arienzo, CJ; Mathur, A; Shen, DR; Cvijic, ME; Salter-Cid, L; Barrish, JC; Carter, PH; Dyckman, AJ Identification and Preclinical Pharmacology of BMS-986104: A Differentiated S1P1 Receptor Modulator in Clinical Trials. ACS Med Chem Lett 7:283-8 (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:
BDBM50169441
Synonyms:
CHEMBL3806205
Type:
Small organic molecule
Emp. Form.:
C22H36NO4P
Mol. Mass.:
409.4993
SMILES:
CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Structure:
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