Ki Summary

Reaction Details

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Target

Hematopoietic prostaglandin D synthase

Ligand

BDBM50576325

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2126989 (CHEMBL4836334)

IC50

510±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:

PROTEIN

Mol. Mass.:

23295.19

Organism:

Rattus norvegicus

Description:

ChEMBL_118881

Residue:

199

Sequence:

MPNYKLLYFNMRGRAEIIRYIFAYLDIKYEDHRIEQADWPKIKPTLPFGKIPVLEVEGLT
LHQSLAIARYLTKNTDLAGKTELEQCQVDAVVDTLDDFMSLFPWAEENQDLKERTFNDLL
TRQAPHLLKDLDTYLGDKEWFIGNYVTWADFYWDICSTTLLVLKPDLLGIYPRLVSLRNK
VQAIPAISAWILKRPQTKL

BDBM50576325

n/a

Name

BDBM50576325

Synonyms:

CHEMBL4852189

Type

Small organic molecule

Emp. Form.

C22H29FN4O2

Mol. Mass.

400.4897

SMILES

CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)N1CCc2c(C1)cnn2-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(4.33,-9.7,;4.34,-8.16,;3,-8.92,;3.6,-6.81,;5.88,-8.2,;6.63,-9.55,;8.17,-9.58,;8.96,-8.26,;8.21,-6.91,;6.68,-6.88,;10.5,-8.28,;11.25,-9.63,;10.46,-10.95,;12.79,-9.66,;13.53,-11,;15.07,-11.02,;15.87,-9.71,;15.11,-8.37,;13.57,-8.34,;16.15,-7.24,;17.55,-7.87,;17.38,-9.4,;18.51,-10.44,;18.17,-11.94,;19.31,-12.98,;20.78,-12.52,;21.11,-11.01,;22.58,-10.54,;19.97,-9.98,)|

Structure