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Assay Detail

CHEMBL813669

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Binding
In vitro inhibition constant (Ki) against human thrombin
25
Total Activities
25
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

Efficacious and orally bioavailable thrombin inhibitors based on a 2,5-thienylamidine at the P1 position: discovery of N-carboxymethyl-d-diphenylalanyl-l-prolyl[(5-amidino-2-thienyl)methyl]amide.
Lee K, Park CW, Jung WH, Park HD, Lee SH, Chung KH, Park SK, Kwon OH, Kang M, Park DH, Lee SK, Kim EE, Yoon SK, Kim A.
J Med Chem (2003) 46 : 3612 -3622
PubMed 12904065 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 25 10.10 11.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL120079 1 11.00
CHEMBL121212 1 11.00
CHEMBL330949 1 10.89
CHEMBL124300 1 10.82
CHEMBL420540 1 10.82
CHEMBL119877 1 10.82
CHEMBL331571 1 10.77
CHEMBL120308 1 10.70
CHEMBL122410 1 10.70
CHEMBL120187 1 10.52
CHEMBL332819 1 10.00
CHEMBL121694 1 9.92
CHEMBL332764 1 9.80
CHEMBL333969 1 9.77
CHEMBL120950 1 9.40
CHEMBL439970 1 9.37
CHEMBL121379 1 9.22
CHEMBL121150 1 9.19
CHEMBL120918 1 8.85
CHEMBL1166 ARGATROBAN 4.0 1 8.40
CHEMBL331847 1 -
CHEMBL331742 1 -
CHEMBL1795037 1 -
CHEMBL331771 1 -
CHEMBL269575 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL120079 Ki = 0.01 nM 11.00
CHEMBL121212 Ki = 0.01 nM 11.00
CHEMBL330949 Ki = 0.013 nM 10.89
CHEMBL124300 Ki = 0.015 nM 10.82
CHEMBL420540 Ki = 0.015 nM 10.82
CHEMBL119877 Ki = 0.015 nM 10.82
CHEMBL331571 Ki = 0.017 nM 10.77
CHEMBL120308 Ki = 0.02 nM 10.70
CHEMBL122410 Ki = 0.02 nM 10.70
CHEMBL120187 Ki = 0.03 nM 10.52
CHEMBL332819 Ki = 0.1 nM 10.00
CHEMBL121694 Ki = 0.12 nM 9.92
CHEMBL332764 Ki = 0.16 nM 9.80
CHEMBL333969 Ki = 0.17 nM 9.77
CHEMBL120950 Ki = 0.4 nM 9.40
CHEMBL439970 Ki = 0.43 nM 9.37
CHEMBL121379 Ki = 0.6 nM 9.22
CHEMBL121150 Ki = 0.64 nM 9.19
CHEMBL120918 Ki = 1.4 nM 8.85
CHEMBL1166 ARGATROBAN Ki = 4.0 nM 8.40
CHEMBL331847 Ki = 0.008 nM -
CHEMBL331742 Ki = 0.004 nM -
CHEMBL1795037 Ki = 0.005 nM -
CHEMBL331771 Ki = 0.003 nM -
CHEMBL269575 Ki = 0.003 nM -