Ki Summary

Reaction Details

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Target

Hematopoietic prostaglandin D synthase

Ligand

BDBM50615801

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2304418

EC50

450±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

BDBM50615801

n/a

Name

BDBM50615801

Synonyms:

CHEMBL5274174

Type

Small organic molecule

Emp. Form.

C22H30N4O2

Mol. Mass.

382.4992

SMILES

C[C@@H]1CCN1c1cc2ncc(cc2cn1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:1.0,18.20,wD:21.27,(-9.12,-.87,;-8.35,-2.21,;-8.76,-3.72,;-7.27,-4.12,;-6.86,-2.61,;-5.53,-1.84,;-4.2,-2.6,;-2.88,-1.83,;-1.54,-2.6,;-.21,-1.84,;-.21,-.3,;-1.55,.48,;-2.88,-.3,;-4.22,.46,;-5.53,-.31,;1.12,.47,;1.12,2.01,;2.45,-.3,;3.79,.47,;3.79,2.01,;5.12,2.78,;6.45,2.01,;6.45,.47,;5.12,-.3,;7.79,2.78,;8.56,4.12,;7.02,4.12,;9.12,2.01,)|

Structure