Ki Summary

Reaction Details

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Target

Sphingosine 1-phosphate receptor 1

Ligand

BDBM196286

Substrate/Competitor

n/a

Meas. Tech.

In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method A)

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

More Info.:

Get all data from this article, Assay Method

Sphingosine 1-phosphate receptor 1

Name:

Sphingosine 1-phosphate receptor 1

Synonyms:

Type:

Enzyme

Mol. Mass.:

42836.02

Organism:

Homo sapiens (Human)

Description:

P21453

Residue:

382

Sequence:

MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFII
LENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLR
EGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIM
GWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKN
ISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLA
VLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSH
PQKDEGDNPETIMSSGNVNSSS

BDBM196286

n/a

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