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Assay Detail

CHEMBL5030253

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

Binding
Inhibition of porcine heart malate dehydrogenase preincubated for 5 min followed by nicotinamide adenine dinucleotide addition and monitered for 90 sec by spectrophotometric method
24
Total Activities
24
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Sus scrofa
Tissue Heart
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Colloidal Aggregators in Biochemical SARS-CoV-2 Repurposing Screens.
O'Donnell HR, Tummino TA, Bardine C, Craik CS, Shoichet BK.
J Med Chem (2021) 64 : 17530 -17539
PubMed 34812616 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 24 5.41 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1200712 EVANS BLUE 4.0 1 8.00
CHEMBL49563 alpha-TOCHOPHEROL 1 7.10
CHEMBL286494 HYPERICIN 3.0 1 6.82
CHEMBL4577351 1 6.44
CHEMBL51483 GOSSYPOL 3.0 1 6.09
CHEMBL1085699 MANIDIPINE 6300 3.0 1 5.70
CHEMBL250270 LERCANIDIPINE 3.0 1 5.66
CHEMBL46469 ANTHRALIN 2.0 1 5.60
CHEMBL497 CLIOQUINOL 4.0 1 5.37
CHEMBL275311 1 5.36
CHEMBL9470 SHIKONIN 1 5.16
CHEMBL1360563 HEMATEIN 1 5.12
CHEMBL486600 DRACORHODIN 1 5.11
CHEMBL292009 BUPARVAQUONE 2.0 1 5.09
CHEMBL164 MYRICETIN 1 5.07
CHEMBL289277 EMODIN 1 4.90
CHEMBL1265 ADAPALENE 4.0 1 4.85
CHEMBL177820 TETRABROMOBENZOTRIAZOLE 1 4.84
CHEMBL277535 BIFONAZOLE 3.0 1 4.77
CHEMBL46740 BAZEDOXIFENE 4.0 1 4.75
CHEMBL104 CLOTRIMAZOLE 4.0 1 4.66
CHEMBL1112 ARIPIPRAZOLE 4.0 1 4.62
CHEMBL2386114 1 4.62
CHEMBL1201284 CINACALCET 4.0 1 4.13

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1200712 EVANS BLUE IC50 = 10.0 nM 8.00
CHEMBL49563 alpha-TOCHOPHEROL IC50 = 79.0 nM 7.10
CHEMBL286494 HYPERICIN IC50 = 150.0 nM 6.82
CHEMBL4577351 IC50 = 360.0 nM 6.44
CHEMBL51483 GOSSYPOL IC50 = 820.0 nM 6.09
CHEMBL1085699 MANIDIPINE 6300 IC50 = 2000.0 nM 5.70
CHEMBL250270 LERCANIDIPINE IC50 = 2200.0 nM 5.66
CHEMBL46469 ANTHRALIN IC50 = 2500.0 nM 5.60
CHEMBL497 CLIOQUINOL IC50 = 4300.0 nM 5.37
CHEMBL275311 IC50 = 4400.0 nM 5.36
CHEMBL9470 SHIKONIN IC50 = 7000.0 nM 5.16
CHEMBL1360563 HEMATEIN IC50 = 7600.0 nM 5.12
CHEMBL486600 DRACORHODIN IC50 = 7700.0 nM 5.11
CHEMBL292009 BUPARVAQUONE IC50 = 8200.0 nM 5.09
CHEMBL164 MYRICETIN IC50 = 8500.0 nM 5.07
CHEMBL289277 EMODIN IC50 = 12700.0 nM 4.90
CHEMBL1265 ADAPALENE IC50 = 14000.0 nM 4.85
CHEMBL177820 TETRABROMOBENZOTRIAZOLE IC50 = 14600.0 nM 4.84
CHEMBL277535 BIFONAZOLE IC50 = 17000.0 nM 4.77
CHEMBL46740 BAZEDOXIFENE IC50 = 18000.0 nM 4.75
CHEMBL104 CLOTRIMAZOLE IC50 = 22000.0 nM 4.66
CHEMBL1112 ARIPIPRAZOLE IC50 = 24000.0 nM 4.62
CHEMBL2386114 IC50 = 24000.0 nM 4.62
CHEMBL1201284 CINACALCET IC50 = 74000.0 nM 4.13