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Assay Detail

CHEMBL4402235

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by RapidFire high-throughput mass spectrometry assay
74
Total Activities
74
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Hematopoietic prostaglandin D synthase (CHEMBL5879)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors.
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.
Bioorg Med Chem (2019) 27 : 1456 -1478
PubMed 30858025 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 74 6.48 8.09

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4439454 1 8.09
CHEMBL4452633 1 8.01
CHEMBL4473072 1 8.00
CHEMBL4454901 1 7.85
CHEMBL4526974 1 7.82
CHEMBL4530713 1 7.80
CHEMBL4443093 1 7.77
CHEMBL4458862 1 7.70
CHEMBL4467696 1 7.64
CHEMBL4483631 1 7.60
CHEMBL4463046 1 7.58
CHEMBL4454083 1 7.31
CHEMBL4441669 1 7.28
CHEMBL4483661 1 7.25
CHEMBL4564218 1 7.24
CHEMBL4435792 1 7.24
CHEMBL4544169 1 7.15
CHEMBL4476572 1 7.14
CHEMBL4573375 1 7.11
CHEMBL4461589 1 7.01
CHEMBL4438813 1 7.00
CHEMBL4446601 1 6.96
CHEMBL4591235 1 6.96
CHEMBL4476594 1 6.92
CHEMBL4584855 1 6.92
CHEMBL4539130 1 6.80
CHEMBL4567043 1 6.77
CHEMBL4580109 1 6.70
CHEMBL4571908 1 6.70
CHEMBL4555427 1 6.66

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4439454 IC50 = 8.2 nM 8.09
CHEMBL4452633 IC50 = 9.7 nM 8.01
CHEMBL4473072 IC50 = 9.9 nM 8.00
CHEMBL4454901 IC50 = 14.0 nM 7.85
CHEMBL4526974 IC50 = 15.0 nM 7.82
CHEMBL4530713 IC50 = 16.0 nM 7.80
CHEMBL4443093 IC50 = 17.0 nM 7.77
CHEMBL4458862 IC50 = 20.0 nM 7.70
CHEMBL4467696 IC50 = 23.0 nM 7.64
CHEMBL4483631 IC50 = 25.0 nM 7.60
CHEMBL4463046 IC50 = 26.0 nM 7.58
CHEMBL4454083 IC50 = 49.0 nM 7.31
CHEMBL4441669 IC50 = 52.0 nM 7.28
CHEMBL4483661 IC50 = 56.0 nM 7.25
CHEMBL4435792 IC50 = 57.0 nM 7.24
CHEMBL4564218 IC50 = 57.0 nM 7.24
CHEMBL4544169 IC50 = 71.0 nM 7.15
CHEMBL4476572 IC50 = 73.0 nM 7.14
CHEMBL4573375 IC50 = 78.0 nM 7.11
CHEMBL4461589 IC50 = 98.0 nM 7.01
CHEMBL4438813 IC50 = 100.0 nM 7.00
CHEMBL4446601 IC50 = 110.0 nM 6.96
CHEMBL4591235 IC50 = 110.0 nM 6.96
CHEMBL4476594 IC50 = 120.0 nM 6.92
CHEMBL4584855 IC50 = 120.0 nM 6.92
CHEMBL4539130 IC50 = 160.0 nM 6.80
CHEMBL4567043 IC50 = 170.0 nM 6.77
CHEMBL4580109 IC50 = 200.0 nM 6.70
CHEMBL4571908 IC50 = 200.0 nM 6.70
CHEMBL4555427 IC50 = 220.0 nM 6.66
CHEMBL4461716 IC50 = 220.0 nM 6.66
CHEMBL4469614 IC50 = 230.0 nM 6.64
CHEMBL4570414 IC50 = 250.0 nM 6.60
CHEMBL4520564 IC50 = 250.0 nM 6.60
CHEMBL4446712 IC50 = 280.0 nM 6.55
CHEMBL4469436 IC50 = 320.0 nM 6.50
CHEMBL4520607 IC50 = 340.0 nM 6.47
CHEMBL4521862 IC50 = 350.0 nM 6.46
CHEMBL4547202 IC50 = 360.0 nM 6.44
CHEMBL4547648 IC50 = 390.0 nM 6.41
CHEMBL4550149 IC50 = 420.0 nM 6.38
CHEMBL4525227 IC50 = 500.0 nM 6.30
CHEMBL4563481 IC50 = 520.0 nM 6.28
CHEMBL4468172 IC50 = 530.0 nM 6.28
CHEMBL4552112 IC50 = 590.0 nM 6.23
CHEMBL4575981 IC50 = 620.0 nM 6.21
CHEMBL4547156 IC50 = 610.0 nM 6.21
CHEMBL4588916 IC50 = 630.0 nM 6.20
CHEMBL4461342 IC50 = 640.0 nM 6.19
CHEMBL4476387 IC50 = 870.0 nM 6.06