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Assay Detail

CHEMBL4733548

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Binding
Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
ChEMBL ↗
47
Total Activities
47
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cytochrome P450 1B1 (CHEMBL4878) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of heterocycle-containing α-naphthoflavone derivatives as water-soluble, highly potent and selective CYP1B1 inhibitors.
Dong J,Huang G,Cui Q,Meng Q,Li S,Cui J
Eur J Med Chem (2021) 209 : 112895 -112895
PubMed 33069055 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 47 8.43 10.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4749123 — — 1 10.15
CHEMBL4798651 — — 1 9.85
CHEMBL4759410 — — 1 9.52
CHEMBL4799247 — — 1 9.42
CHEMBL4782753 — — 1 9.34
CHEMBL4755282 — — 1 9.22
CHEMBL4798694 — — 1 9.08
CHEMBL4747913 — — 1 9.06
CHEMBL4799346 — — 1 9.03
CHEMBL4746733 — — 1 9.02
CHEMBL4745341 — — 1 9.01
CHEMBL4759778 — — 1 9.01
CHEMBL4781895 — — 1 9.00
CHEMBL4742050 — — 1 9.00
CHEMBL4799305 — — 1 8.96
CHEMBL4750829 — — 1 8.96
CHEMBL4744690 — — 1 8.92
CHEMBL4744264 — — 1 8.92
CHEMBL4750507 — — 1 8.92
CHEMBL4791264 — — 1 8.89
CHEMBL4753119 — — 1 8.89
CHEMBL4753629 — — 1 8.74
CHEMBL4749988 — — 1 8.70
CHEMBL4759437 — — 1 8.70
CHEMBL4781932 — — 1 8.59
CHEMBL4753083 — — 1 8.39
CHEMBL4746097 — — 1 8.32
CHEMBL283196 ALPHA-NAPHTHOFLAVONE — 1 8.23
CHEMBL4792471 — — 1 8.22
CHEMBL4761904 — — 1 8.19

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4749123 — IC50 = 0.07 nM 10.15
CHEMBL4798651 — IC50 = 0.14 nM 9.85
CHEMBL4759410 — IC50 = 0.3 nM 9.52
CHEMBL4799247 — IC50 = 0.38 nM 9.42
CHEMBL4782753 — IC50 = 0.46 nM 9.34
CHEMBL4755282 — IC50 = 0.6 nM 9.22
CHEMBL4798694 — IC50 = 0.84 nM 9.08
CHEMBL4747913 — IC50 = 0.87 nM 9.06
CHEMBL4799346 — IC50 = 0.93 nM 9.03
CHEMBL4746733 — IC50 = 0.95 nM 9.02
CHEMBL4745341 — IC50 = 0.98 nM 9.01
CHEMBL4759778 — IC50 = 0.98 nM 9.01
CHEMBL4781895 — IC50 = 1.0 nM 9.00
CHEMBL4742050 — IC50 = 1.0 nM 9.00
CHEMBL4750829 — IC50 = 1.1 nM 8.96
CHEMBL4799305 — IC50 = 1.1 nM 8.96
CHEMBL4744690 — IC50 = 1.2 nM 8.92
CHEMBL4744264 — IC50 = 1.2 nM 8.92
CHEMBL4750507 — IC50 = 1.2 nM 8.92
CHEMBL4791264 — IC50 = 1.3 nM 8.89
CHEMBL4753119 — IC50 = 1.3 nM 8.89
CHEMBL4753629 — IC50 = 1.8 nM 8.74
CHEMBL4759437 — IC50 = 2.0 nM 8.70
CHEMBL4749988 — IC50 = 2.0 nM 8.70
CHEMBL4781932 — IC50 = 2.6 nM 8.59
CHEMBL4753083 — IC50 = 4.1 nM 8.39
CHEMBL4746097 — IC50 = 4.8 nM 8.32
CHEMBL283196 ALPHA-NAPHTHOFLAVONE IC50 = 5.9 nM 8.23
CHEMBL4792471 — IC50 = 6.0 nM 8.22
CHEMBL4761904 — IC50 = 6.5 nM 8.19
CHEMBL4745897 — IC50 = 7.7 nM 8.11
CHEMBL4781446 — IC50 = 10.3 nM 7.99
CHEMBL4740535 — IC50 = 14.9 nM 7.83
CHEMBL4745122 — IC50 = 15.6 nM 7.81
CHEMBL4740802 — IC50 = 20.6 nM 7.69
CHEMBL4741985 — IC50 = 22.9 nM 7.64
CHEMBL4746873 — IC50 = 24.8 nM 7.61
CHEMBL4763388 — IC50 = 30.1 nM 7.52
CHEMBL4740805 — IC50 = 61.5 nM 7.21
CHEMBL4754216 — IC50 = 63.9 nM 7.19
CHEMBL4746672 — IC50 = 175.2 nM 6.76
CHEMBL4795310 — IC50 = 189.4 nM 6.72
CHEMBL4778382 — IC50 = 519.4 nM 6.28
CHEMBL4758643 — IC50 = 658.3 nM 6.18
CHEMBL4740715 — IC50 > 1000.0 nM -
CHEMBL4798948 — IC50 > 1000.0 nM -
CHEMBL4760296 — IC50 > 1000.0 nM -