Ki Summary

Reaction Details

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Target

Hematopoietic prostaglandin D synthase

Ligand

BDBM50576316

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2126991 (CHEMBL4836336)

IC50

8.0±n/a nM

Citation

Schulte, CA; Deaton, DN; Diaz, E; Do, Y; Gampe, RT; Guss, JH; Hancock, AP; Hobbs, H; Hodgson, ST; Holt, J; Jeune, MR; Kahler, KM; Kramer, HF; Le, J; Mortenson, PN; Musetti, C; Nolte, RT; Orband-Miller, LA; Peckham, GE; Petrov, KG; Pietrak, BL; Poole, C; Price, DJ; Saxty, G; Shillings, A; Smalley, TL; Somers, DO; Stewart, EL; Stuart, JD; Thomson, SA A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorg Med Chem Lett47:0 (2021) [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

BDBM50576316

n/a

Name

BDBM50576316

Synonyms:

CHEMBL4870703

Type

Small organic molecule

Emp. Form.

C23H26FN3O2

Mol. Mass.

395.4698

SMILES

CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r,wU:7.10,wD:4.3,(2.16,-11.57,;2.98,-12.88,;3.7,-11.51,;1.68,-13.7,;4.35,-13.61,;4.4,-15.15,;5.77,-15.87,;7.07,-15.05,;7.01,-13.51,;5.65,-12.79,;8.44,-15.77,;9.74,-14.95,;9.68,-13.41,;11.1,-15.66,;11.16,-17.2,;12.51,-17.92,;13.81,-17.1,;15.29,-17.52,;16.15,-16.25,;15.2,-15.04,;13.76,-15.57,;12.4,-14.84,;17.68,-16.19,;18.5,-17.5,;20.03,-17.44,;20.76,-16.08,;19.93,-14.77,;18.39,-14.83,;17.57,-13.53,)|

Structure