Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50445387
Substrate
n/a
Meas. Tech.
ChEMBL_1285676 (CHEMBL3106635)
EC50
4.4±n/a nM
Citation
 Bolli, MH; Müller, C; Mathys, B; Abele, S; Birker, M; Bravo, R; Bur, D; Hess, P; Kohl, C; Lehmann, D; Nayler, O; Rey, M; Meyer, S; Scherz, M; Schmidt, G; Steiner, B; Treiber, A; Velker, J; Weller, T Novel S1P1 receptor agonists--part 1: From pyrazoles to thiophenes. J Med Chem 56:9737-55 (2014) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 1
Synonyms:
CD_antigen=CD363 | Edg1 | Endothelial differentiation G-protein coupled receptor 1 | S1P receptor 1 | S1P receptor Edg-1 | S1P1 | S1PR1_RAT | S1pr1 | Sphingosine 1-phosphate receptor Edg-1
Type:
PROTEIN
Mol. Mass.:
42770.88
Organism:
Rattus norvegicus
Description:
ChEMBL_1463793
Residue:
383
Sequence:
MVSSTSIPVVKALRSQVSDYGNYDIIVRHYNYTGKLNIGVEKDHGIKLTSVVFILICCLIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIISCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM50445387
Synonyms:
CHEMBL3105479
Type:
Small organic molecule
Emp. Form.:
C25H28N2O3S
Mol. Mass.:
436.566
SMILES:
CCc1cc(cc(C)c1CCC(O)=O)-c1noc(n1)-c1sc(C)c2[C@H]3[C@@H](Cc12)C3(C)C |r|
Structure:
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