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Assay Detail

CHEMBL813668

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

Binding
In vitro activity against human thrombin.
31
Total Activities
31
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 of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa.
Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.
J Med Chem (2001) 44 : 566 -578
PubMed 11170646 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 31 6.06 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL347846 1 7.40
CHEMBL358835 1 7.30
CHEMBL154238 1 7.16
CHEMBL152281 1 6.92
CHEMBL440733 1 6.75
CHEMBL152859 1 6.70
CHEMBL347307 1 6.68
CHEMBL422688 1 6.64
CHEMBL152854 1 6.52
CHEMBL154512 1 6.52
CHEMBL346834 1 6.52
CHEMBL347931 1 6.52
CHEMBL359132 1 6.52
CHEMBL346686 1 6.40
CHEMBL152276 1 6.35
CHEMBL444074 1 6.22
CHEMBL346857 1 6.05
CHEMBL356016 1 6.05
CHEMBL152274 1 6.05
CHEMBL154322 1 5.85
CHEMBL154680 1 5.70
CHEMBL153611 1 5.55
CHEMBL153946 1 5.24
CHEMBL559015 1 5.22
CHEMBL421808 1 5.13
CHEMBL154572 1 4.92
CHEMBL154504 1 4.85
CHEMBL422351 1 4.85
CHEMBL134736 1 4.68
CHEMBL156775 1 4.68

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL347846 Ki = 40.0 nM 7.40
CHEMBL358835 Ki = 50.0 nM 7.30
CHEMBL154238 Ki = 70.0 nM 7.16
CHEMBL152281 Ki = 120.0 nM 6.92
CHEMBL440733 Ki = 180.0 nM 6.75
CHEMBL152859 Ki = 200.0 nM 6.70
CHEMBL347307 Ki = 210.0 nM 6.68
CHEMBL422688 Ki = 230.0 nM 6.64
CHEMBL152854 Ki = 300.0 nM 6.52
CHEMBL154512 Ki = 300.0 nM 6.52
CHEMBL346834 Ki = 300.0 nM 6.52
CHEMBL347931 Ki = 300.0 nM 6.52
CHEMBL359132 Ki = 300.0 nM 6.52
CHEMBL346686 Ki = 400.0 nM 6.40
CHEMBL152276 Ki = 450.0 nM 6.35
CHEMBL444074 Ki = 600.0 nM 6.22
CHEMBL346857 Ki = 900.0 nM 6.05
CHEMBL356016 Ki = 900.0 nM 6.05
CHEMBL152274 Ki = 900.0 nM 6.05
CHEMBL154322 Ki = 1400.0 nM 5.85
CHEMBL154680 Ki = 2000.0 nM 5.70
CHEMBL153611 Ki = 2800.0 nM 5.55
CHEMBL153946 Ki = 5800.0 nM 5.24
CHEMBL559015 Ki = 6000.0 nM 5.22
CHEMBL421808 Ki = 7400.0 nM 5.13
CHEMBL154572 Ki = 12000.0 nM 4.92
CHEMBL154504 Ki = 14000.0 nM 4.85
CHEMBL422351 Ki = 14000.0 nM 4.85
CHEMBL134736 Ki = 21000.0 nM 4.68
CHEMBL156775 Ki = 21000.0 nM 4.68
CHEMBL358834 Ki > 2000.0 nM -