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Assay Detail

CHEMBL4676505

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

Binding
Inhibition of human coagulation factor XIIA using Boc-Gln-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay
37
Total Activities
37
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 XII (CHEMBL2821)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Acylated 1H-1,2,4-Triazol-5-amines Targeting Human Coagulation Factor XIIa and Thrombin: Conventional and Microscale Synthesis, Anticoagulant Properties, and Mechanism of Action.
Korff M,Imberg L,Will JM,Bückreiß N,Kalinina SA,Wenzel BM,Kastner GA,Daniliuc CG,Barth M,Ovsepyan RA,Butov KR,Humpf HU,Lehr M,Panteleev MA,Poso A,Karst U,Steinmetzer T,Bendas G,Kalinin DV
J Med Chem (2020) 63 : 13159 -13186
PubMed 33089691 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 6.35 7.54

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4776259 1 7.54
CHEMBL4786270 1 7.21
CHEMBL4777212 1 7.04
CHEMBL4783236 1 7.03
CHEMBL4746556 1 6.97
CHEMBL4761275 1 6.96
CHEMBL4748137 1 6.88
CHEMBL4760132 1 6.87
CHEMBL4754247 1 6.86
CHEMBL4749147 1 6.85
CHEMBL4750895 1 6.79
CHEMBL4740475 1 6.68
CHEMBL4786773 1 6.54
CHEMBL4797183 1 6.53
CHEMBL4754712 1 6.51
CHEMBL2151128 1 6.27
CHEMBL4780154 1 6.21
CHEMBL4781896 1 6.10
CHEMBL4764774 1 6.01
CHEMBL4762106 1 5.81
CHEMBL4749335 1 5.79
CHEMBL4759962 1 5.49
CHEMBL4800151 1 5.23
CHEMBL4800646 1 5.01
CHEMBL4764057 1 4.92
CHEMBL4744082 1 4.88
CHEMBL1568624 1 -
CHEMBL295684 1 -
CHEMBL432863 1 -
CHEMBL4791078 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4776259 IC50 = 29.0 nM 7.54
CHEMBL4786270 IC50 = 62.0 nM 7.21
CHEMBL4777212 IC50 = 91.0 nM 7.04
CHEMBL4783236 IC50 = 93.0 nM 7.03
CHEMBL4746556 IC50 = 106.0 nM 6.97
CHEMBL4761275 IC50 = 109.0 nM 6.96
CHEMBL4748137 IC50 = 132.0 nM 6.88
CHEMBL4760132 IC50 = 134.0 nM 6.87
CHEMBL4754247 IC50 = 138.0 nM 6.86
CHEMBL4749147 IC50 = 142.0 nM 6.85
CHEMBL4750895 IC50 = 162.0 nM 6.79
CHEMBL4740475 IC50 = 210.0 nM 6.68
CHEMBL4786773 IC50 = 291.0 nM 6.54
CHEMBL4797183 IC50 = 298.0 nM 6.53
CHEMBL4754712 IC50 = 306.0 nM 6.51
CHEMBL2151128 IC50 = 539.0 nM 6.27
CHEMBL4780154 IC50 = 617.0 nM 6.21
CHEMBL4781896 IC50 = 793.0 nM 6.10
CHEMBL4764774 IC50 = 968.0 nM 6.01
CHEMBL4762106 IC50 = 1560.0 nM 5.81
CHEMBL4749335 IC50 = 1606.0 nM 5.79
CHEMBL4759962 IC50 = 3207.0 nM 5.49
CHEMBL4800151 IC50 = 5934.0 nM 5.23
CHEMBL4800646 IC50 = 9822.0 nM 5.01
CHEMBL4764057 IC50 = 12130.0 nM 4.92
CHEMBL4744082 IC50 = 13200.0 nM 4.88
CHEMBL4761623 IC50 > 1000.0 nM -
CHEMBL198362 RIVAROXABAN IC50 > 33000.0 nM -
CHEMBL48361 DABIGATRAN IC50 > 33000.0 nM -
CHEMBL4753362 IC50 > 1000.0 nM -
CHEMBL4755409 IC50 > 1000.0 nM -
CHEMBL4748586 IC50 > 5000.0 nM -
CHEMBL4756713 IC50 > 1000.0 nM -
CHEMBL4791078 IC50 > 1000.0 nM -
CHEMBL432863 IC50 > 5000.0 nM -
CHEMBL295684 IC50 > 5000.0 nM -
CHEMBL1568624 IC50 > 5000.0 nM -