Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 3
Ligand
BDBM196286
Substrate
n/a
Meas. Tech.
In Vitro Functional Activity (Agonism) on Human S1P3 Receptors
EC50
>10000±n/a nM
Citation
 Smid, P; Iwema Bakker, WI; Coolen, HK; Sliedregt, LA; van Dongen, MJ; den Hartog, JA; Hobson, A Fused heterocyclic derivatives as S1P modulators US Patent  US9670220 Publication Date 6/6/2017 
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:
BDBM196286
Synonyms:
US9670220, 306
Type:
Small organic molecule
Emp. Form.:
C25H23F3N2O5
Mol. Mass.:
488.4557
SMILES:
OC(=O)[C@H]1CC(C1)N1CCc2oc(nc2C1)-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:3.2,(10.37,-1.61,;9.12,-2.52,;7.72,-1.89,;9.28,-4.05,;8.81,-5.51,;7.28,-5.35,;7.75,-3.89,;5.94,-6.12,;5.94,-7.66,;4.61,-8.43,;3.28,-7.66,;1.81,-8.14,;.91,-6.89,;1.81,-5.65,;3.28,-6.12,;4.61,-5.35,;-.64,-6.89,;-1.41,-8.23,;-2.94,-8.23,;-3.72,-6.89,;-5.26,-6.89,;-6.03,-5.56,;-7.57,-5.56,;-8.34,-6.89,;-9.88,-6.89,;-10.65,-5.56,;-12.19,-5.56,;-12.96,-4.23,;-14.5,-4.23,;-12.19,-2.89,;-13.73,-5.56,;-9.88,-4.22,;-8.34,-4.23,;-2.94,-5.56,;-1.41,-5.56,)|
Structure:
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