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Assay Detail

CHEMBL981183

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Binding
Inhibition of rat lens aldose reductase
ChEMBL ↗
59
Total Activities
59
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Aldo-keto reductase family 1 member B1 (CHEMBL2622) ↗
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

QSAR prediction of inhibition of aldose reductase for flavonoids.
Mercader AG, Duchowicz PR, Fernández FM, Castro EA, Bennardi DO, Autino JC, Romanelli GP.
Bioorg Med Chem (2008) 16 : 7470 -7476
PubMed 18585047 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 59 6.16 7.55

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL487810 AXILLARIN — 1 7.55
CHEMBL438292 — — 1 7.49
CHEMBL476553 — — 1 7.47
CHEMBL476554 — — 1 7.46
CHEMBL312790 SIDERITIFLAVONE — 1 7.41
CHEMBL72807 — — 1 7.35
CHEMBL478439 — — 1 7.24
CHEMBL478440 — — 1 7.19
CHEMBL478441 — — 1 7.13
CHEMBL76188 — — 1 7.11
CHEMBL73016 — — 1 7.04
CHEMBL478874 — — 1 6.92
CHEMBL478875 — — 1 6.85
CHEMBL479077 — — 1 6.80
CHEMBL479078 — — 1 6.79
CHEMBL476364 — — 1 6.77
CHEMBL72637 CIRSILIOL — 1 6.77
CHEMBL464107 6-HYDROXYLUTEOLIN — 1 6.69
CHEMBL449222 — — 1 6.64
CHEMBL162550 — — 1 6.62
CHEMBL507644 — — 1 6.60
CHEMBL477562 — — 1 6.57
CHEMBL476730 — — 1 6.55
CHEMBL476731 — — 1 6.55
CHEMBL476940 — — 1 6.52
CHEMBL476314 — — 1 6.52
CHEMBL477803 — — 1 6.52
CHEMBL491366 CHRYSOSPLENOL D — 1 6.46
CHEMBL476120 — — 1 6.39
CHEMBL476121 XANTHOMICROL — 1 6.27

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL487810 AXILLARIN IC50 = 27.99 nM 7.55
CHEMBL438292 — IC50 = 32.36 nM 7.49
CHEMBL476553 — IC50 = 33.88 nM 7.47
CHEMBL476554 — IC50 = 34.99 nM 7.46
CHEMBL312790 SIDERITIFLAVONE IC50 = 38.9 nM 7.41
CHEMBL72807 — IC50 = 44.67 nM 7.35
CHEMBL478439 — IC50 = 57.54 nM 7.24
CHEMBL478440 — IC50 = 64.57 nM 7.19
CHEMBL478441 — IC50 = 74.13 nM 7.13
CHEMBL76188 — IC50 = 77.62 nM 7.11
CHEMBL73016 — IC50 = 91.2 nM 7.04
CHEMBL478874 — IC50 = 120.23 nM 6.92
CHEMBL478875 — IC50 = 141.25 nM 6.85
CHEMBL479077 — IC50 = 159.96 nM 6.80
CHEMBL479078 — IC50 = 162.18 nM 6.79
CHEMBL476364 — IC50 = 169.82 nM 6.77
CHEMBL72637 CIRSILIOL IC50 = 169.82 nM 6.77
CHEMBL464107 6-HYDROXYLUTEOLIN IC50 = 204.17 nM 6.69
CHEMBL449222 — IC50 = 229.09 nM 6.64
CHEMBL162550 — IC50 = 239.88 nM 6.62
CHEMBL507644 — IC50 = 251.19 nM 6.60
CHEMBL477562 — IC50 = 269.15 nM 6.57
CHEMBL476730 — IC50 = 281.84 nM 6.55
CHEMBL476731 — IC50 = 281.84 nM 6.55
CHEMBL477803 — IC50 = 302.0 nM 6.52
CHEMBL476314 — IC50 = 302.0 nM 6.52
CHEMBL476940 — IC50 = 302.0 nM 6.52
CHEMBL491366 CHRYSOSPLENOL D IC50 = 348.34 nM 6.46
CHEMBL476120 — IC50 = 407.38 nM 6.39
CHEMBL476121 XANTHOMICROL IC50 = 537.03 nM 6.27
CHEMBL485677 — IC50 = 812.83 nM 6.09
CHEMBL478426 — IC50 = 851.14 nM 6.07
CHEMBL479232 — IC50 = 1166.81 nM 5.93
CHEMBL516438 — IC50 = 1202.26 nM 5.92
CHEMBL447936 — IC50 = 1202.26 nM 5.92
CHEMBL348436 CIRSIMARITIN IC50 = 1412.54 nM 5.85
CHEMBL475908 — IC50 = 1659.59 nM 5.78
CHEMBL6492 — IC50 = 2290.87 nM 5.64
CHEMBL479233 SUDACHITIN IC50 = 4466.84 nM 5.35
CHEMBL484663 — IC50 = 5248.07 nM 5.28
CHEMBL477767 — IC50 = 6309.57 nM 5.20
CHEMBL487213 CIRSILENEOL IC50 = 6760.83 nM 5.17
CHEMBL312073 NEVADENSIN IC50 = 7244.36 nM 5.14
CHEMBL477980 — IC50 = 8128.31 nM 5.09
CHEMBL514993 — IC50 = 8203.52 nM 5.09
CHEMBL477981 — IC50 = 8394.6 nM 5.08
CHEMBL476096 — IC50 = 8912.51 nM 5.05
CHEMBL476097 — IC50 = 13182.57 nM 4.88
CHEMBL514558 — IC50 = 16218.1 nM 4.79
CHEMBL477357 — IC50 = 18197.01 nM 4.74