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Assay Detail

CHEMBL829646

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

Binding
Binding affinity against thrombin in human plasma
27
Total Activities
27
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Tissue Plasma
Confidence 9 — Direct single protein target
Curated By Expert

Target

Prothrombin (CHEMBL204)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

P2 pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold.
Nantermet PG, Burgey CS, Robinson KA, Pellicore JM, Newton CL, Deng JZ, Selnick HG, Lewis SD, Lucas BJ, Krueger JA, Miller-Stein C, White RB, Wong B, McMasters DR, Wallace AA, Lynch JJ, Yan Y, Chen Z, Kuo L, Gardell SJ, Shafer JA, Vacca JP, Lyle TA.
Bioorg Med Chem Lett (2005) 15 : 2771 -2775
PubMed 15911253 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 27 8.65 10.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL195366 1 10.40
CHEMBL196035 1 10.30
CHEMBL195960 1 10.10
CHEMBL372367 1 9.85
CHEMBL194120 1 9.64
CHEMBL373270 1 9.40
CHEMBL195776 1 9.38
CHEMBL197464 1 9.35
CHEMBL195313 1 9.32
CHEMBL371309 1 8.82
CHEMBL197141 1 8.82
CHEMBL370050 1 8.60
CHEMBL193502 1 8.59
CHEMBL193688 1 8.49
CHEMBL30054 DPOC-4088 1.0 1 8.28
CHEMBL366233 1 8.22
CHEMBL196178 1 8.00
CHEMBL193500 1 7.75
CHEMBL193814 1 7.70
CHEMBL194060 1 7.58
CHEMBL195461 1 6.85
CHEMBL196455 1 6.82
CHEMBL197504 1 6.58
CHEMBL382542 1 -
CHEMBL197418 1 -
CHEMBL196030 1 -
CHEMBL196702 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL195366 Ki = 0.04 nM 10.40
CHEMBL196035 Ki = 0.05 nM 10.30
CHEMBL195960 Ki = 0.08 nM 10.10
CHEMBL372367 Ki = 0.14 nM 9.85
CHEMBL194120 Ki = 0.23 nM 9.64
CHEMBL373270 Ki = 0.4 nM 9.40
CHEMBL195776 Ki = 0.42 nM 9.38
CHEMBL197464 Ki = 0.45 nM 9.35
CHEMBL195313 Ki = 0.48 nM 9.32
CHEMBL371309 Ki = 1.5 nM 8.82
CHEMBL197141 Ki = 1.5 nM 8.82
CHEMBL370050 Ki = 2.5 nM 8.60
CHEMBL193502 Ki = 2.6 nM 8.59
CHEMBL193688 Ki = 3.2 nM 8.49
CHEMBL30054 DPOC-4088 Ki = 5.2 nM 8.28
CHEMBL366233 Ki = 6.0 nM 8.22
CHEMBL196178 Ki = 10.0 nM 8.00
CHEMBL193500 Ki = 18.0 nM 7.75
CHEMBL193814 Ki = 20.0 nM 7.70
CHEMBL194060 Ki = 26.0 nM 7.58
CHEMBL195461 Ki = 140.0 nM 6.85
CHEMBL196455 Ki = 150.0 nM 6.82
CHEMBL197504 Ki = 260.0 nM 6.58
CHEMBL382542 Ki = 0.001 nM -
CHEMBL197418 Ki < 0.01 nM -
CHEMBL196030 Ki = 0.002 nM -
CHEMBL196702 Ki < 0.01 nM -