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Assay Detail

CHEMBL1035203

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Binding
Inhibition of 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 Intermediate

Target

Prothrombin (CHEMBL204) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design, parallel synthesis, and crystal structures of biphenyl antithrombotics as selective inhibitors of tissue factor FVIIa complex. Part 1: Exploration of S2 pocket pharmacophores.
Kotian PL, Krishnan R, Rowland S, El-Kattan Y, Saini SK, Upshaw R, Bantia S, Arnold S, Babu YS, Chand P.
Bioorg Med Chem (2009) 17 : 3934 -3958
PubMed 19409795 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 45 7.54 8.31

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL484616 — — 1 8.31
CHEMBL505189 — — 1 8.10
CHEMBL524732 — — 1 8.07
CHEMBL485704 — — 1 8.03
CHEMBL525274 — — 1 7.93
CHEMBL485705 — — 1 7.91
CHEMBL505720 — — 1 7.89
CHEMBL505455 — — 1 7.83
CHEMBL488778 — — 1 7.83
CHEMBL505190 — — 1 7.82
CHEMBL506771 — — 1 7.79
CHEMBL501749 — — 1 7.75
CHEMBL520364 — — 1 7.75
CHEMBL487955 — — 1 7.72
CHEMBL506772 — — 1 7.70
CHEMBL497067 — — 1 7.64
CHEMBL486112 — — 1 7.55
CHEMBL504391 — — 1 7.45
CHEMBL500948 — — 1 7.40
CHEMBL523251 — — 1 7.40
CHEMBL526504 — — 1 7.38
CHEMBL484615 — — 1 7.30
CHEMBL487956 — — 1 7.30
CHEMBL503584 — — 1 7.30
CHEMBL502292 — — 1 7.30
CHEMBL504657 — — 1 7.30
CHEMBL498545 — — 1 7.30
CHEMBL519886 — — 1 7.30
CHEMBL499632 — — 1 7.30
CHEMBL507281 — — 1 7.25

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL484616 — IC50 = 4.88 nM 8.31
CHEMBL505189 — IC50 = 8.02 nM 8.10
CHEMBL524732 — IC50 = 8.51 nM 8.07
CHEMBL485704 — IC50 = 9.4 nM 8.03
CHEMBL525274 — IC50 = 11.82 nM 7.93
CHEMBL485705 — IC50 = 12.3 nM 7.91
CHEMBL505720 — IC50 = 12.98 nM 7.89
CHEMBL505455 — IC50 = 14.67 nM 7.83
CHEMBL488778 — IC50 = 14.87 nM 7.83
CHEMBL505190 — IC50 = 14.99 nM 7.82
CHEMBL506771 — IC50 = 16.07 nM 7.79
CHEMBL520364 — IC50 = 17.9 nM 7.75
CHEMBL501749 — IC50 = 17.9 nM 7.75
CHEMBL487955 — IC50 = 19.17 nM 7.72
CHEMBL506772 — IC50 = 19.88 nM 7.70
CHEMBL497067 — IC50 = 22.73 nM 7.64
CHEMBL486112 — IC50 = 27.96 nM 7.55
CHEMBL504391 — IC50 = 35.39 nM 7.45
CHEMBL500948 — IC50 = 39.57 nM 7.40
CHEMBL523251 — IC50 = 39.7 nM 7.40
CHEMBL526504 — IC50 = 42.12 nM 7.38
CHEMBL487956 — IC50 = 50.24 nM 7.30
CHEMBL499632 — IC50 = 50.0 nM 7.30
CHEMBL519886 — IC50 = 50.0 nM 7.30
CHEMBL498545 — IC50 = 50.0 nM 7.30
CHEMBL502292 — IC50 = 50.0 nM 7.30
CHEMBL503584 — IC50 = 50.0 nM 7.30
CHEMBL484615 — IC50 = 50.0 nM 7.30
CHEMBL504657 — IC50 = 50.0 nM 7.30
CHEMBL507281 — IC50 = 56.22 nM 7.25
CHEMBL502293 — IC50 = 63.1 nM 7.20
CHEMBL224485 — IC50 = 64.0 nM 7.19
CHEMBL524548 — IC50 = 70.4 nM 7.15
CHEMBL527118 — IC50 = 86.86 nM 7.06
CHEMBL507020 — IC50 = 110.48 nM 6.96
CHEMBL451066 — IC50 = 156.8 nM 6.80
CHEMBL507279 — IC50 > 50.0 nM -
CHEMBL524370 — IC50 > 50.0 nM -
CHEMBL526193 — IC50 - — -
CHEMBL502557 — IC50 - — -
CHEMBL500947 — IC50 - — -
CHEMBL498047 — IC50 - — -
CHEMBL498726 — IC50 - — -
CHEMBL499829 — IC50 - — -
CHEMBL501218 — IC50 - — -