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Assay Detail

CHEMBL4400097

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

Binding
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method
16
Total Activities
16
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

Coagulation factor XI (CHEMBL2820)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Clark CG, Rossi KA, Corte JR, Fang T, Smallheer JM, De Lucca I, Nirschl DS, Orwat MJ, Pinto DJP, Hu Z, Wang Y, Yang W, Jeon Y, Ewing WR, Myers JE, Sheriff S, Lou Z, Bozarth JM, Wu Y, Rendina A, Harper T, Zheng J, Xin B, Xiang Q, Luettgen JM, Seiffert DA, Wexler RR, Lam PYS.
Bioorg Med Chem Lett (2019) 29 : 126604 -126604
PubMed 31445854 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 16 8.17 9.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4071545 1 9.80
CHEMBL4576507 1 9.57
CHEMBL4467360 1 9.02
CHEMBL4452300 1 8.74
CHEMBL4550408 1 8.74
CHEMBL4475559 1 8.68
CHEMBL4460266 1 8.66
CHEMBL4465144 1 8.36
CHEMBL4551053 1 8.33
CHEMBL4463167 1 8.32
CHEMBL4438562 1 8.28
CHEMBL4515523 1 7.77
CHEMBL4552540 1 7.00
CHEMBL4514410 1 6.70
CHEMBL4558196 1 6.48
CHEMBL4454856 1 6.25

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4071545 Ki = 0.16 nM 9.80
CHEMBL4576507 Ki = 0.27 nM 9.57
CHEMBL4467360 Ki = 0.95 nM 9.02
CHEMBL4452300 Ki = 1.8 nM 8.74
CHEMBL4550408 Ki = 1.8 nM 8.74
CHEMBL4475559 Ki = 2.1 nM 8.68
CHEMBL4460266 Ki = 2.2 nM 8.66
CHEMBL4465144 Ki = 4.4 nM 8.36
CHEMBL4551053 Ki = 4.7 nM 8.33
CHEMBL4463167 Ki = 4.8 nM 8.32
CHEMBL4438562 Ki = 5.3 nM 8.28
CHEMBL4515523 Ki = 17.0 nM 7.77
CHEMBL4552540 Ki = 99.0 nM 7.00
CHEMBL4514410 Ki = 201.0 nM 6.70
CHEMBL4558196 Ki = 333.0 nM 6.48
CHEMBL4454856 Ki = 560.0 nM 6.25