Ki Summary

Reaction Details

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Target

Hematopoietic prostaglandin D synthase

Ligand

BDBM50526483

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1900120 (CHEMBL4402235)

IC50

57±n/a nM

Citation

Deaton, DN; Do, Y; Holt, J; Jeune, MR; Kramer, HF; Larkin, AL; Orband-Miller, LA; Peckham, GE; Poole, C; Price, DJ; Schaller, LT; Shen, Y; Shewchuk, LM; Stewart, EL; Stuart, JD; Thomson, SA; Ward, P; Wilson, JW; Xu, T; Guss, JH; Musetti, C; Rendina, AR; Affleck, K; Anders, D; Hancock, AP; Hobbs, H; Hodgson, ST; Hutchinson, J; Leveridge, MV; Nicholls, H; Smith, IED; Somers, DO; Sneddon, HF; Uddin, S; Cleasby, A; Mortenson, PN; Richardson, C; Saxty, G The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors. Bioorg Med Chem27:1456-1478 (2019) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Hematopoietic prostaglandin D synthase

Name:

Hematopoietic prostaglandin D synthase

Synonyms:

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:

MPNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGKIPILEVDGLT
LHQSLAIARYLTKNTDLAGNTEMEQCHVDAIVDTLDDFMSCFPWAEKKQDVKEQMFNELL
TYNAPHLMQDLDTYLGGREWLIGNSVTWADFYWEICSTTLLVFKPDLLDNHPRLVTLRKK
VQAIPAVANWIKRRPQTKL

BDBM50526483

n/a

Name

BDBM50526483

Synonyms:

CHEMBL4435792

Type

Small organic molecule

Emp. Form.

C19H23N3O3

Mol. Mass.

341.4042

SMILES

CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC)ccc2c1 |r,wU:7.10,wD:4.3,(81.55,-36.7,;80.22,-37.47,;78.88,-36.71,;78.87,-35.17,;77.55,-37.49,;76.21,-36.72,;74.88,-37.5,;74.9,-39.04,;76.23,-39.8,;77.56,-39.03,;73.57,-39.82,;72.23,-39.06,;72.22,-37.52,;70.91,-39.84,;70.92,-41.39,;69.58,-42.16,;68.25,-41.39,;66.91,-42.17,;65.58,-41.4,;64.24,-42.17,;62.91,-41.4,;65.58,-39.86,;66.91,-39.09,;68.25,-39.85,;69.57,-39.08,)|

Structure