Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 3
Ligand
BDBM50169441
Substrate
n/a
Meas. Tech.
ChEMBL_2064634 (CHEMBL4719887)
IC50
>1000±n/a nM
Citation
 Yang, MG; Xiao, Z; Dhar, TG; Xiao, HY; Gilmore, JL; Marcoux, D; Xie, JH; McIntyre, KW; Taylor, TL; Borowski, V; Heimrich, E; Li, YW; Feng, J; Fernandes, A; Yang, Z; Balimane, P; Marino, AM; Cornelius, G; Warrack, BM; Mathur, A; Wu, DR; Li, P; Gupta, A; Pragalathan, B; Shen, DR; Cvijic, ME; Lehman-McKeeman, LD; Salter-Cid, L; Barrish, JC; Carter, PH; Dyckman, AJ Asymmetric Hydroboration Approach to the Scalable Synthesis of ((1R,3S)-1-Amino-3-((R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol (BMS-986104) as a Potent S1P J Med Chem 59:11138-11147 (2016) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 3
Synonyms:
C9orf108 | C9orf47 | EDG3 | Endothelial differentiation G-protein coupled receptor 3 | S1P receptor 3 | S1P receptor Edg-3 | S1P3 | S1PR3 | S1PR3_HUMAN | Sphingosine 1-phosphate receptor | Sphingosine 1-phosphate receptor 3 (S1P3) | Sphingosine 1-phosphate receptor Edg-3
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42278.13
Organism:
Homo sapiens (Human)
Description:
Q99500
Residue:
378
Sequence:
MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
  
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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