Reaction Details | |||
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Target | Hematopoietic prostaglandin D synthase | ||
Ligand | BDBM50615771 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2304417 | ||
IC50 | 45±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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BDBM50615771 | |||
n/a | |||
Name | BDBM50615771 | ||
Synonyms: | CHEMBL5276706 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H25N3O3 | ||
Mol. Mass. | 343.4201 | ||
SMILES | COc1cc2ncc(cc2cn1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-4.66,-3.36,;-3.34,-2.59,;-2.01,-3.36,;-.68,-2.59,;-.68,-1.05,;-2.02,-.28,;-3.34,-1.06,;-4.68,-.29,;-5.99,-1.07,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)| | ||
Structure |