Reaction Details  Report a problem with these data
Target
Sphingosine 1-phosphate receptor 3
Ligand
BDBM50380418
Substrate
n/a
Meas. Tech.
ChEMBL_813025 (CHEMBL2020537)
IC50
>10000±n/a nM
Citation
 Ibrahim, MA; Johnson, HW; Jeong, JW; Lewis, GL; Shi, X; Noguchi, RT; Williams, M; Leahy, JW; Nuss, JM; Woolfrey, J; Banica, M; Bentzien, F; Chou, YC; Gibson, A; Heald, N; Lamb, P; Mattheakis, L; Matthews, D; Shipway, A; Wu, X; Zhang, W; Zhou, S; Shankar, G Discovery of a novel class of potent and orally bioavailable sphingosine 1-phosphate receptor 1 antagonists. J Med Chem 55:1368-81 (2012) [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:
BDBM50380418
Synonyms:
CHEMBL2018571
Type:
Small organic molecule
Emp. Form.:
C28H25F2N5O3
Mol. Mass.:
517.5266
SMILES:
Fc1ccc(C[C@@H]2C[C@H](N(C2)C(=O)Cn2ccnn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r|
Structure:
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