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Assay Detail

CHEMBL4035836

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Binding
Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculovirus infected Sf9 insect cells using H3K4me3 peptide as substrate after 30 to 45 mins by TR-FRET assay
ChEMBL ↗
44
Total Activities
39
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

Lysine-specific demethylase 5A (CHEMBL2424504) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Liang J, Labadie S, Zhang B, Ortwine DF, Patel S, Vinogradova M, Kiefer JR, Mauer T, Gehling VS, Harmange JC, Cummings R, Lai T, Liao J, Zheng X, Liu Y, Gustafson A, Van der Porten E, Mao W, Liederer BM, Deshmukh G, An L, Ran Y, Classon M, Trojer P, Dragovich PS, Murray L.
Bioorg Med Chem Lett (2017) 27 : 2974 -2981
PubMed 28512031 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 44 6.34 7.35

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4088737 — — 1 7.35
CHEMBL4059597 — — 3 7.22
CHEMBL4060968 — — 2 7.19
CHEMBL4071387 — — 1 7.00
CHEMBL4077454 — — 1 6.98
CHEMBL4071397 — — 1 6.91
CHEMBL4092189 — — 1 6.89
CHEMBL4083572 — — 3 6.80
CHEMBL4089789 — — 1 6.70
CHEMBL4061676 — — 1 6.69
CHEMBL4081928 — — 1 6.60
CHEMBL4065511 — — 1 6.58
CHEMBL4069572 — — 1 6.45
CHEMBL4090588 — — 1 6.34
CHEMBL4093169 — — 1 6.33
CHEMBL4066567 — — 1 6.14
CHEMBL4080293 — — 1 6.06
CHEMBL4102674 — — 1 6.05
CHEMBL4099924 — — 1 5.96
CHEMBL4084434 — — 1 5.82
CHEMBL4098317 — — 1 5.58
CHEMBL4100491 — — 1 5.48
CHEMBL4062756 — — 1 5.14
CHEMBL4075598 — — 1 5.05
CHEMBL4084424 — — 1 4.84
CHEMBL4092177 — — 1 4.84
CHEMBL4072124 — — 1 -
CHEMBL4060733 — — 1 -
CHEMBL4099092 — — 1 -
CHEMBL4082608 — — 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4088737 — IC50 = 45.0 nM 7.35
CHEMBL4059597 — IC50 = 60.0 nM 7.22
CHEMBL4060968 — IC50 = 65.0 nM 7.19
CHEMBL4059597 — IC50 = 80.0 nM 7.10
CHEMBL4060968 — IC50 = 90.0 nM 7.05
CHEMBL4071387 — IC50 = 99.0 nM 7.00
CHEMBL4077454 — IC50 = 105.0 nM 6.98
CHEMBL4071397 — IC50 = 122.0 nM 6.91
CHEMBL4092189 — IC50 = 128.0 nM 6.89
CHEMBL4083572 — IC50 = 160.0 nM 6.80
CHEMBL4059597 — IC50 = 180.0 nM 6.75
CHEMBL4089789 — IC50 = 198.0 nM 6.70
CHEMBL4061676 — IC50 = 204.0 nM 6.69
CHEMBL4081928 — IC50 = 251.0 nM 6.60
CHEMBL4065511 — IC50 = 265.0 nM 6.58
CHEMBL4083572 — IC50 = 260.0 nM 6.58
CHEMBL4069572 — IC50 = 357.0 nM 6.45
CHEMBL4090588 — IC50 = 458.0 nM 6.34
CHEMBL4093169 — IC50 = 469.0 nM 6.33
CHEMBL4066567 — IC50 = 727.0 nM 6.14
CHEMBL4083572 — IC50 = 770.0 nM 6.11
CHEMBL4080293 — IC50 = 878.0 nM 6.06
CHEMBL4102674 — IC50 = 897.0 nM 6.05
CHEMBL4099924 — IC50 = 1100.0 nM 5.96
CHEMBL4084434 — IC50 = 1500.0 nM 5.82
CHEMBL4098317 — IC50 = 2600.0 nM 5.58
CHEMBL4100491 — IC50 = 3300.0 nM 5.48
CHEMBL4062756 — IC50 = 7200.0 nM 5.14
CHEMBL4075598 — IC50 = 8900.0 nM 5.05
CHEMBL4084424 — IC50 = 14300.0 nM 4.84
CHEMBL4092177 — IC50 = 14600.0 nM 4.84
CHEMBL4074276 — IC50 > 25000.0 nM -
CHEMBL4063509 — IC50 > 25000.0 nM -
CHEMBL4099092 — IC50 > 25000.0 nM -
CHEMBL4072124 — IC50 > 25000.0 nM -
CHEMBL4060733 — IC50 > 25000.0 nM -
CHEMBL4082608 — IC50 > 25000.0 nM -
CHEMBL4094733 — IC50 > 25000.0 nM -
CHEMBL4067282 — IC50 > 25000.0 nM -
CHEMBL4068553 — IC50 > 25000.0 nM -
CHEMBL4059892 — IC50 > 25000.0 nM -
CHEMBL4095874 — IC50 > 25000.0 nM -
CHEMBL4084749 — IC50 > 25000.0 nM -
CHEMBL4082751 — IC50 > 25000.0 nM -