Reaction Details | |||
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Target | Hematopoietic prostaglandin D synthase | ||
Ligand | BDBM50615775 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2304417 | ||
IC50 | 3.9±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: | GSTS | Glutathione-dependent PGD synthetase | Glutathione-requiring prostaglandin D synthase | H-PGDS | HPGDS | HPGDS_HUMAN | Hematopoietic prostaglandin D synthase | Hematopoietic prostaglandin D synthase (H-PGDS) | Hematopoietic prostaglandin D synthase (HPGDS) | PGDS | PTGDS2 | Prostaglandin D | Prostaglandin D Synthase | ||
Type: | Enzyme | ||
Mol. Mass.: | 23341.07 | ||
Organism: | Homo sapiens (Human) | ||
Description: | The protein was expressed in E. coli strain BL21(DE3) with an N-terminal 6-His tag. | ||
Residue: | 199 | ||
Sequence: |
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BDBM50615775 | |||
n/a | |||
Name | BDBM50615775 | ||
Synonyms: | CHEMBL5279860 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H28N4O2 | ||
Mol. Mass. | 368.4726 | ||
SMILES | CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)N1CCC1 |r,wU:7.10,wD:4.3,(6.84,4.12,;7.61,2.78,;8.38,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-5.71,-.31,;-4.4,.46,;-3.06,-.3,;-1.74,.48,;-7.05,-2.61,;-8.53,-2.21,;-8.94,-3.72,;-7.45,-4.12,)| | ||
Structure |