Reaction Details | |||
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Target | Hematopoietic prostaglandin D synthase | ||
Ligand | BDBM50615777 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2304417 | ||
IC50 | 14±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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BDBM50615777 | |||
n/a | |||
Name | BDBM50615777 | ||
Synonyms: | CHEMBL5271855 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H27N3O2 | ||
Mol. Mass. | 353.458 | ||
SMILES | CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r,wU:7.10,wD:4.3,(6.66,4.03,;7.43,2.69,;8.2,4.03,;8.76,1.92,;6.1,1.92,;4.76,2.69,;3.43,1.92,;3.43,.38,;4.76,-.39,;6.1,.38,;2.1,-.39,;.76,.38,;.76,1.92,;-.57,-.39,;-.57,-1.93,;-1.9,-2.69,;-3.24,-1.92,;-4.56,-2.69,;-5.89,-1.93,;-5.89,-.4,;-4.57,.37,;-3.24,-.39,;-1.91,.39,;-7.22,-2.7,;-7.99,-4.03,;-8.76,-2.7,)| | ||
Structure |