Ki Summary

Reaction Details

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Target

Hematopoietic prostaglandin D synthase

Ligand

BDBM50615786

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2304418

EC50

280±n/a nM

Citation

Cadilla, R; Deaton, DN; Do, Y; Elkins, PA; Ennulat, D; Guss, JH; Holt, J; Jeune, MR; King, AG; Klapwijk, JC; Kramer, HF; Kramer, NJ; Laffan, SB; Masuria, PI; McDougal, AV; Mortenson, PN; Musetti, C; Peckham, GE; Pietrak, BL; Poole, C; Price, DJ; Rendina, AR; Sati, G; Saxty, G; Shearer, BG; Shewchuk, LM; Sneddon, HF; Stewart, EL; Stuart, JD; Thomas, DN; Thomson, SA; Ward, P; Wilson, JW; Xu, T; Youngman, MA The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure. Bioorg Med Chem28:0 (2020) [PubMed]

More Info.:

Get all data from this article, Assay Method

Hematopoietic prostaglandin D synthase

Name:

Hematopoietic prostaglandin D synthase

Synonyms:

Type:

PROTEIN

Mol. Mass.:

23295.19

Organism:

Rattus norvegicus

Description:

ChEMBL_118881

Residue:

199

Sequence:

MPNYKLLYFNMRGRAEIIRYIFAYLDIKYEDHRIEQADWPKIKPTLPFGKIPVLEVEGLT
LHQSLAIARYLTKNTDLAGKTELEQCQVDAVVDTLDDFMSLFPWAEENQDLKERTFNDLL
TRQAPHLLKDLDTYLGDKEWFIGNYVTWADFYWDICSTTLLVLKPDLLGIYPRLVSLRNK
VQAIPAISAWILKRPQTKL

BDBM50615786

n/a

Name

BDBM50615786

Synonyms:

CHEMBL5289296

Type

Small organic molecule

Emp. Form.

C19H23N3O2

Mol. Mass.

325.4048

SMILES

CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r,wU:6.8,wD:4.3,(7.81,3.82,;7.04,2.48,;6.27,3.82,;8.38,1.71,;5.71,1.71,;4.22,2.11,;3.82,.6,;5.3,.2,;2.48,-.17,;1.15,.6,;1.15,2.14,;-.18,-.17,;-.18,-1.71,;-1.52,-2.48,;-2.85,-1.71,;-4.17,-2.48,;-5.5,-1.71,;-5.5,-.19,;-4.19,.59,;-2.85,-.18,;-1.52,.6,;-6.83,-2.48,;-7.61,-3.82,;-8.38,-2.48,)|

Structure