Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50420173
Substrate
n/a
Meas. Tech.
ChEMBL_834831 (CHEMBL2073148)
EC50
50119±n/a nM
Citation
 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design. J Med Chem 55:5311-25 (2012) [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:
BDBM50420173
Synonyms:
CHEMBL582739 | GNF-Pf-590
Type:
Small organic molecule
Emp. Form.:
C24H21N5O2S
Mol. Mass.:
443.521
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1nc2N=C(CC(c3ccccc3)n2n1)c1ccccc1 |c:15|
Structure:
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