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Assay Detail

CHEMBL874093

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Binding
Inhibitory compound against Wild-type human DHFR.
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Dihydrofolate reductase (CHEMBL202)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii.
Rosowsky A, Mota CE, Queener SF, Waltham M, Ercikan-Abali E, Bertino JR.
J Med Chem (1995) 38 : 745 -752
PubMed 7877140 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 10 7.51 8.27

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL164845 1 8.27
CHEMBL119 TRIMETREXATE 4.0 1 7.89
CHEMBL341703 1 7.64
CHEMBL349149 1 7.39
CHEMBL441298 1 7.14
CHEMBL350730 1 6.70
CHEMBL162312 1 -
CHEMBL434097 1 -
CHEMBL162270 1 -
CHEMBL165955 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL164845 Ki = 5.4 nM 8.27
CHEMBL119 TRIMETREXATE Ki = 13.0 nM 7.89
CHEMBL341703 Ki = 23.0 nM 7.64
CHEMBL349149 Ki = 41.0 nM 7.39
CHEMBL441298 Ki = 72.0 nM 7.14
CHEMBL350730 Ki = 200.0 nM 6.70
CHEMBL162312 Ki > 500.0 nM -
CHEMBL434097 Ki > 500.0 nM -
CHEMBL162270 Ki > 500.0 nM -
CHEMBL165955 Ki > 500.0 nM -