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Assay Detail

CHEMBL813626

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Binding
Inhibitory potency against human thrombin
ChEMBL ↗
45
Total Activities
45
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Prothrombin (CHEMBL204) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors.
Young MB, Barrow JC, Glass KL, Lundell GF, Newton CL, Pellicore JM, Rittle KE, Selnick HG, Stauffer KJ, Vacca JP, Williams PD, Bohn D, Clayton FC, Cook JJ, Krueger JA, Kuo LC, Lewis SD, Lucas BJ, McMasters DR, Miller-Stein C, Pietrak BL, Wallace AA, White RB, Wong B, Yan Y, Nantermet PG.
J Med Chem (2004) 47 : 2995 -3008
PubMed 15163182 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 45 8.86 10.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL323583 — — 1 10.89
CHEMBL103874 — — 1 10.74
CHEMBL103342 — — 1 10.48
CHEMBL102500 — — 1 10.30
CHEMBL102122 — — 1 10.07
CHEMBL103738 — — 1 10.02
CHEMBL102400 — — 1 9.85
CHEMBL100854 — — 1 9.80
CHEMBL102979 — — 1 9.68
CHEMBL1201843 — — 1 9.62
CHEMBL102978 — — 1 9.48
CHEMBL319272 — — 1 9.40
CHEMBL102174 — — 1 9.36
CHEMBL102866 — — 1 9.35
CHEMBL103862 — — 1 9.18
CHEMBL19080 L-375378 — 1 9.10
CHEMBL317915 — — 1 9.08
CHEMBL101585 — — 1 8.97
CHEMBL441463 — — 1 8.96
CHEMBL102971 — — 1 8.92
CHEMBL322208 — — 1 8.85
CHEMBL320664 — — 1 8.74
CHEMBL103692 — — 1 8.70
CHEMBL322696 — — 1 8.57
CHEMBL103581 — — 1 8.52
CHEMBL317294 — — 1 8.46
CHEMBL103522 — — 1 8.38
CHEMBL30054 DPOC-4088 1.0 1 8.28
CHEMBL319022 — — 1 8.25
CHEMBL105909 — — 1 8.24

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL323583 — Ki = 0.013 nM 10.89
CHEMBL103874 — Ki = 0.018 nM 10.74
CHEMBL103342 — Ki = 0.033 nM 10.48
CHEMBL102500 — Ki = 0.05 nM 10.30
CHEMBL102122 — Ki = 0.085 nM 10.07
CHEMBL103738 — Ki = 0.096 nM 10.02
CHEMBL102400 — Ki = 0.14 nM 9.85
CHEMBL100854 — Ki = 0.16 nM 9.80
CHEMBL102979 — Ki = 0.21 nM 9.68
CHEMBL1201843 — Ki = 0.24 nM 9.62
CHEMBL102978 — Ki = 0.33 nM 9.48
CHEMBL319272 — Ki = 0.4 nM 9.40
CHEMBL102174 — Ki = 0.44 nM 9.36
CHEMBL102866 — Ki = 0.45 nM 9.35
CHEMBL103862 — Ki = 0.66 nM 9.18
CHEMBL19080 L-375378 Ki = 0.8 nM 9.10
CHEMBL317915 — Ki = 0.84 nM 9.08
CHEMBL101585 — Ki = 1.06 nM 8.97
CHEMBL441463 — Ki = 1.1 nM 8.96
CHEMBL102971 — Ki = 1.2 nM 8.92
CHEMBL322208 — Ki = 1.4 nM 8.85
CHEMBL320664 — Ki = 1.8 nM 8.74
CHEMBL103692 — Ki = 2.0 nM 8.70
CHEMBL322696 — Ki = 2.7 nM 8.57
CHEMBL103581 — Ki = 3.0 nM 8.52
CHEMBL317294 — Ki = 3.5 nM 8.46
CHEMBL103522 — Ki = 4.2 nM 8.38
CHEMBL30054 DPOC-4088 Ki = 5.2 nM 8.28
CHEMBL319022 — Ki = 5.6 nM 8.25
CHEMBL105909 — Ki = 5.8 nM 8.24
CHEMBL102437 — Ki = 6.3 nM 8.20
CHEMBL321141 — Ki = 6.9 nM 8.16
CHEMBL296041 — Ki = 7.0 nM 8.15
CHEMBL319443 — Ki = 7.2 nM 8.14
CHEMBL103648 — Ki = 7.3 nM 8.14
CHEMBL103197 — Ki = 7.2 nM 8.14
CHEMBL105455 — Ki = 12.0 nM 7.92
CHEMBL320162 — Ki = 14.0 nM 7.85
CHEMBL101588 — Ki = 16.0 nM 7.80
CHEMBL321130 — Ki = 250.0 nM 6.60
CHEMBL102511 — Ki = 940.0 nM 6.03
CHEMBL103461 — Ki = 0.0014 nM -
CHEMBL320172 — Ki = 0.0015 nM -
CHEMBL104951 — Ki < 0.01 nM -
CHEMBL327265 — Ki < 0.01 nM -