Reaction Details  Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50313312
Substrate
n/a
Meas. Tech.
ChEMBL_617135 (CHEMBL1101573)
EC50
3±n/a nM
Citation
 Crosignani, S; Bombrun, A; Covini, D; Maio, M; Marin, D; Quattropani, A; Swinnen, D; Simpson, D; Sauer, W; Françon, B; Martin, T; Cambet, Y; Nichols, A; Martinou, I; Burgat-Charvillon, F; Rivron, D; Donini, C; Schott, O; Eligert, V; Novo-Perez, L; Vitte, PA; Arrighi, JF Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett 20:1516-9 (2010) [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:
BDBM50313312
Synonyms:
1-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylbenzyl)azetidine-3-carboxylic acid | CHEMBL1083828
Type:
Small organic molecule
Emp. Form.:
C27H35N5O3
Mol. Mass.:
477.5985
SMILES:
Cc1cc(CN2CC(C2)C(O)=O)ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1
Structure:
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