Reaction Details | |||
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Target | Hematopoietic prostaglandin D synthase | ||
Ligand | BDBM50615794 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2304417 | ||
IC50 | 11±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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BDBM50615794 | |||
n/a | |||
Name | BDBM50615794 | ||
Synonyms: | CHEMBL5290809 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H26F2N4O | ||
Mol. Mass. | 388.4541 | ||
SMILES | CC(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1)C(F)F |r,wU:6.9,wD:3.2,(7.44,.28,;7.44,1.82,;6.11,2.59,;4.77,1.82,;3.44,2.59,;2.1,1.82,;2.1,.28,;3.44,-.49,;4.77,.28,;.77,-.49,;-.57,.28,;-.57,1.82,;-1.9,-.49,;-1.9,-2.03,;-3.23,-2.8,;-4.57,-2.03,;-5.9,-2.8,;-7.24,-2.03,;-7.24,-.49,;-5.9,.28,;-4.57,-.49,;-3.23,.28,;-8.57,-2.8,;-9.34,-4.13,;-10.11,-2.8,;8.77,2.59,;8.77,4.13,;10.11,1.82,)| | ||
Structure |