Ki Summary

Reaction Details

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Target

Hematopoietic prostaglandin D synthase

Ligand

BDBM50615789

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

BDBM50615789

n/a

Name

BDBM50615789

Synonyms:

CHEMBL5290969

Type

Small organic molecule

Emp. Form.

C21H25FN4O

Mol. Mass.

368.4478

SMILES

FC1CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r,wU:8.12,wD:5.5,(9.71,4.3,;8.38,3.53,;7.97,2.02,;6.48,2.42,;6.89,3.93,;5.15,1.65,;3.82,2.42,;2.48,1.65,;2.48,.11,;3.82,-.66,;5.15,.11,;1.15,-.66,;-.18,.11,;-.18,1.65,;-1.52,-.66,;-1.52,-2.2,;-2.85,-2.97,;-4.19,-2.2,;-5.51,-2.96,;-6.83,-2.2,;-6.83,-.68,;-5.52,.1,;-4.19,-.67,;-2.86,.11,;-8.17,-2.97,;-8.94,-4.3,;-9.71,-2.97,)|

Structure